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

C16H20ClN3OS2 — CID 118944645

IUPACN-[4-chloro-2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide
SMILESCCN(C(=O)C(C)CSC)c1sc(-c2cncc(C)c2)nc1Cl
InChIInChI=1S/C16H20ClN3OS2/c1-5-20(15(21)11(3)9-22-4)16-13(17)19-14(23-16)12-6-10(2)7-18-8-12/h6-8,11H,5,9H2,1-4H3
InChIKeyOKVOIYAFKLSBJA-UHFFFAOYSA-N
MW369.94 g/mol
LogP4.52
Rot. Bonds6

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

N-[4-chloro-2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide (PubChem CID 118944645) has the molecular formula C16H20ClN3OS2 and a molecular weight of 369.94 g/mol. Its IUPAC name is N-[4-chloro-2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide
PubChem CID118944645
Molecular FormulaC16H20ClN3OS2
Molecular Weight369.94 g/mol
Exact Mass369.07
IUPAC NameN-[4-chloro-2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide
SMILESCCN(C(=O)C(C)CSC)c1sc(-c2cncc(C)c2)nc1Cl
InChIInChI=1S/C16H20ClN3OS2/c1-5-20(15(21)11(3)9-22-4)16-13(17)19-14(23-16)12-6-10(2)7-18-8-12/h6-8,11H,5,9H2,1-4H3
InChIKeyOKVOIYAFKLSBJA-UHFFFAOYSA-N
XLogP4.52
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide
CID 118024063
2-(4-chlorophenyl)-N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylpropanamide
CID 59580579
N-[4-chloro-2-(5-fluoro-1-oxidopyridin-1-ium-3-yl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfinylpropanamide
CID 118032569
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methylidenebutanamide
CID 59580612
N-[4-chloro-2-(5-fluoro-1-hydroxypyridin-1-ium-3-yl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfonylpropanamide
CID 123916039
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylprop-2-enamide
CID 59580463
N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide
CID 59580761
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-3-methylsulfinylpropanamide;ethane
CID 167458064
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide
CID 59580699
N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide
CID 90359786
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-N-prop-2-ynyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide
CID 118029824
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylbutanehydrazide
CID 118944679

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-[4-chloro-2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide (CID 118944645) is N-[4-chloro-2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[4-chloro-2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-[4-chloro-2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide is CCN(C(=O)C(C)CSC)c1sc(-c2cncc(C)c2)nc1Cl.
What is the InChIKey of N-[4-chloro-2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is OKVOIYAFKLSBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS2/c1-5-20(15(21)11(3)9-22-4)16-13(17)19-14(23-16)12-6-10(2)7-18-8-12/h6-8,11H,5,9H2,1-4H3.
What are the key properties of N-[4-chloro-2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide?
N-[4-chloro-2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 369.94 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(5-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 118944645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).