1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine

C71H65BrClF6N11O7S3 — CID 167680152

About 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine

1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine (PubChem CID 167680152) has the molecular formula C71H65BrClF6N11O7S3 and a molecular weight of 1509.92 g/mol. Its IUPAC name is 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine.

Molecular Properties

• Compound Name: 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine
• PubChem CID: 167680152
• Molecular Formula: C71H65BrClF6N11O7S3
• Molecular Weight: 1509.92 g/mol
• Exact Mass: 1507.30
• IUPAC Name: 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine
• SMILES: CCCCNC.Nc1nc(-c2ccc(-n3ccccc3=O)cc2)c(C2CC2)s1.Nc1nc(-c2ccc(Br)cc2)c(C2CC2)s1.O=C(O)c1cc(C(F)(F)F)cnc1Cl.O=C(O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-n3ccccc3=O)cc2)c(C2CC2)s1.O=C1C=CC=CC1
• InChI: InChI=1S/C24H17F3N4O3S.C17H15N3OS.C12H11BrN2S.C7H3ClF3NO2.C6H6O.C5H13N/c25-24(26,27)15-11-17(22(33)34)21(28-12-15)30-23-29-19(20(35-23)14-4-5-14)13-6-8-16(9-7-13)31-10-2-1-3-18(31)32;18-17-19-15(16(22-17)12-4-5-12)11-6-8-13(9-7-11)20-10-2-1-3-14(20)21;13-9-5-3-7(4-6-9)10-11(8-1-2-8)16-12(14)15-10;8-5-4(6(13)14)1-3(2-12-5)7(9,10)11;7-6-4-2-1-3-5-6;1-3-4-5-6-2/h1-3,6-12,14H,4-5H2,(H,33,34)(H,28,29,30);1-3,6-10,12H,4-5H2,(H2,18,19);3-6,8H,1-2H2,(H2,14,15);1-2H,(H,13,14);1-4H,5H2;6H,3-5H2,1-2H3
• InChIKey: VKLGVVFILNXRJB-UHFFFAOYSA-N
• XLogP: 17.68
• TPSA: 276.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1509.92
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine?

The IUPAC name of 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine (CID 167680152) is 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine.

What is the SMILES notation for 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine?

The canonical SMILES for 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine is CCCCNC.Nc1nc(-c2ccc(-n3ccccc3=O)cc2)c(C2CC2)s1.Nc1nc(-c2ccc(Br)cc2)c(C2CC2)s1.O=C(O)c1cc(C(F)(F)F)cnc1Cl.O=C(O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-n3ccccc3=O)cc2)c(C2CC2)s1.O=C1C=CC=CC1.

What is the InChIKey of 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine?

The InChIKey is VKLGVVFILNXRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O3S.C17H15N3OS.C12H11BrN2S.C7H3ClF3NO2.C6H6O.C5H13N/c25-24(26,27)15-11-17(22(33)34)21(28-12-15)30-23-29-19(20(35-23)14-4-5-14)13-6-8-16(9-7-13)31-10-2-1-3-18(31)32;18-17-19-15(16(22-17)12-4-5-12)11-6-8-13(9-7-11)20-10-2-1-3-14(20)21;13-9-5-3-7(4-6-9)10-11(8-1-2-8)16-12(14)15-10;8-5-4(6(13)14)1-3(2-12-5)7(9,10)11;7-6-4-2-1-3-5-6;1-3-4-5-6-2/h1-3,6-12,14H,4-5H2,(H,33,34)(H,28,29,30);1-3,6-10,12H,4-5H2,(H2,18,19);3-6,8H,1-2H2,(H2,14,15);1-2H,(H,13,14);1-4H,5H2;6H,3-5H2,1-2H3.

What are the key properties of 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine?

1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine has a molecular weight of 1509.92 g/mol, XLogP of 17.68, 15 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;cyclohexa-2,4-dien-1-one;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;N-methylbutan-1-amine is sourced from PubChem (CID 167680152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).