N-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide

C14H16ClN3OS2 — CID 59580462

IUPACN-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)Nc1sc(-c2ccc(Cl)nc2)nc1C
InChIInChI=1S/C14H16ClN3OS2/c1-8(7-20-3)12(19)18-13-9(2)17-14(21-13)10-4-5-11(15)16-6-10/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyGIJSDXWJXVICOZ-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.10
Rot. Bonds5

About N-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide

N-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide (PubChem CID 59580462) has the molecular formula C14H16ClN3OS2 and a molecular weight of 341.89 g/mol. Its IUPAC name is N-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide
PubChem CID59580462
Molecular FormulaC14H16ClN3OS2
Molecular Weight341.89 g/mol
Exact Mass341.04
IUPAC NameN-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)Nc1sc(-c2ccc(Cl)nc2)nc1C
InChIInChI=1S/C14H16ClN3OS2/c1-8(7-20-3)12(19)18-13-9(2)17-14(21-13)10-4-5-11(15)16-6-10/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyGIJSDXWJXVICOZ-UHFFFAOYSA-N
XLogP4.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide
CID 126635044
N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 81489773
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide
CID 59580925
[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 59457497
N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
CID 59580621
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanamide
CID 70833134
2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide
CID 59580614
N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide
CID 59580935
N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylacetamide
CID 75503297
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
CID 91754454
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 59580713
2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 135395773

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide (CID 59580462) is N-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide is CSCC(C)C(=O)Nc1sc(-c2ccc(Cl)nc2)nc1C.
What is the InChIKey of N-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is GIJSDXWJXVICOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS2/c1-8(7-20-3)12(19)18-13-9(2)17-14(21-13)10-4-5-11(15)16-6-10/h4-6,8H,7H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide?
N-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 341.89 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 59580462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).