4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C16H18F3N3O2S — CID 90554636

IUPAC4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C16H18F3N3O2S/c1-11-13(25-15(20-11)21-6-2-3-7-21)14(23)22(10-16(17,18)19)12-4-8-24-9-5-12/h2-3,6-7,12H,4-5,8-10H2,1H3
InChIKeyCGLDULQDJSLRJN-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.43
Rot. Bonds4

About 4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 90554636) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is 4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID90554636
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC Name4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C16H18F3N3O2S/c1-11-13(25-15(20-11)21-6-2-3-7-21)14(23)22(10-16(17,18)19)12-4-8-24-9-5-12/h2-3,6-7,12H,4-5,8-10H2,1H3
InChIKeyCGLDULQDJSLRJN-UHFFFAOYSA-N
XLogP3.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

ethyl 4-({[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazol-5-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3237876
N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53013907
Ethyl 2-(1H-pyrrol-1-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 50742336
(4-methyl-2-(1H-pyrrol-1-yl)thiazol-5-yl)(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 92092521
(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)(4-methyl-2-(1H-pyrrol-1-yl)thiazol-5-yl)methanone
CID 122258231
(4-methyl-2-(1H-pyrrol-1-yl)thiazol-5-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267340
4-methyl-1-(1-(4-methyl-2-(1H-pyrrol-1-yl)thiazole-5-carbonyl)piperidin-4-yl)-3-(trifluoromethyl)-1H-1,2,4-triazol-5(4H)-one
CID 122268501
4-methyl-2-(1H-pyrrol-1-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 139028068
N-cyclopentyl-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 6620256
N-cyclohexyl-4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
CID 20886476
(4-Methylpiperazin-1-yl)-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 20889809
4-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]morpholine
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 90554636) is 4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CGLDULQDJSLRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c1-11-13(25-15(20-11)21-6-2-3-7-21)14(23)22(10-16(17,18)19)12-4-8-24-9-5-12/h2-3,6-7,12H,4-5,8-10H2,1H3.
What are the key properties of 4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxan-4-yl)-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90554636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).