tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide

C64H71Cl4N15O6S7 — CID 160401031

About tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide

tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide (PubChem CID 160401031) has the molecular formula C64H71Cl4N15O6S7 and a molecular weight of 1512.60 g/mol. Its IUPAC name is tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide.

Molecular Properties

• Compound Name: tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide
• PubChem CID: 160401031
• Molecular Formula: C64H71Cl4N15O6S7
• Molecular Weight: 1512.60 g/mol
• Exact Mass: 1511.25
• IUPAC Name: tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide
• SMILES: CC(CSC)C(=O)N(C)C1=C(N=C(S1)C2=CN=CC=C2)Cl.CC(C)(C)OC(=O)N(C)C1=CN=C(S1)C2=CN=CC=C2.CC(C)(C)OC(=O)N(C)C1=C(N=C(S1)C2=CN=CC=C2)Cl.CNC1=C(N=C(S1)C2=CN=CC=C2)Cl.CN(C1=C(N=C(S1)C2=CN=CC=C2)Cl)C(=O)CCSC
• InChI: InChI=1S/C14H16ClN3O2S.C14H16ClN3OS2.C14H17N3O2S.C13H14ClN3OS2.C9H8ClN3S/c1-14(2,3)20-13(19)18(4)12-10(15)17-11(21-12)9-6-5-7-16-8-9;1-9(8-20-3)13(19)18(2)14-11(15)17-12(21-14)10-5-4-6-16-7-10;1-14(2,3)19-13(18)17(4)11-9-16-12(20-11)10-6-5-7-15-8-10;1-17(10(18)5-7-19-2)13-11(14)16-12(20-13)9-4-3-6-15-8-9;1-11-9-7(10)13-8(14-9)6-3-2-4-12-5-6/h5-8H,1-4H3;4-7,9H,8H2,1-3H3;5-9H,1-4H3;3-4,6,8H,5,7H2,1-2H3;2-5,11H,1H3
• InChIKey: QFJAFUYFKIPFMR-UHFFFAOYSA-N
• XLogP: —
• TPSA: 432.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 96
• Complexity: 1610

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1512.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide?

The IUPAC name of tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide (CID 160401031) is tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide.

What is the SMILES notation for tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide?

The canonical SMILES for tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide is CC(CSC)C(=O)N(C)C1=C(N=C(S1)C2=CN=CC=C2)Cl.CC(C)(C)OC(=O)N(C)C1=CN=C(S1)C2=CN=CC=C2.CC(C)(C)OC(=O)N(C)C1=C(N=C(S1)C2=CN=CC=C2)Cl.CNC1=C(N=C(S1)C2=CN=CC=C2)Cl.CN(C1=C(N=C(S1)C2=CN=CC=C2)Cl)C(=O)CCSC.

What is the InChIKey of tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide?

The InChIKey is QFJAFUYFKIPFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S.C14H16ClN3OS2.C14H17N3O2S.C13H14ClN3OS2.C9H8ClN3S/c1-14(2,3)20-13(19)18(4)12-10(15)17-11(21-12)9-6-5-7-16-8-9;1-9(8-20-3)13(19)18(2)14-11(15)17-12(21-14)10-5-4-6-16-7-10;1-14(2,3)19-13(18)17(4)11-9-16-12(20-11)10-6-5-7-15-8-10;1-17(10(18)5-7-19-2)13-11(14)16-12(20-13)9-4-3-6-15-8-9;1-11-9-7(10)13-8(14-9)6-3-2-4-12-5-6/h5-8H,1-4H3;4-7,9H,8H2,1-3H3;5-9H,1-4H3;3-4,6,8H,5,7H2,1-2H3;2-5,11H,1H3.

What are the key properties of tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide?

tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide has a molecular weight of 1512.60 g/mol, XLogP of not available, 20 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2-dimethyl-3-methylsulfanylpropanamide;N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 160401031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).