N-(5-chloro-2-pyridinyl)-2-[(4-methyl-2-thiazolyl)thio]propanamide

C12H12ClN3OS2 — CID 9551914

IUPACN-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCC1=CSC(=N1)SC(C)C(=O)NC2=NC=C(C=C2)Cl
InChIInChI=1S/C12H12ClN3OS2/c1-7-6-18-12(15-7)19-8(2)11(17)16-10-4-3-9(13)5-14-10/h3-6,8H,1-2H3,(H,14,16,17)
InChIKeyAYNIMJPPZBZRFA-UHFFFAOYSA-N
MW313.80 g/mol
LogP3.40
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-[(4-methyl-2-thiazolyl)thio]propanamide

N-(5-chloro-2-pyridinyl)-2-[(4-methyl-2-thiazolyl)thio]propanamide (PubChem CID 9551914) has the molecular formula C12H12ClN3OS2 and a molecular weight of 313.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(4-methyl-2-thiazolyl)thio]propanamide
PubChem CID9551914
Molecular FormulaC12H12ClN3OS2
Molecular Weight313.80 g/mol
Exact Mass313.01
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
SMILESCC1=CSC(=N1)SC(C)C(=O)NC2=NC=C(C=C2)Cl
InChIInChI=1S/C12H12ClN3OS2/c1-7-6-18-12(15-7)19-8(2)11(17)16-10-4-3-9(13)5-14-10/h3-6,8H,1-2H3,(H,14,16,17)
InChIKeyAYNIMJPPZBZRFA-UHFFFAOYSA-N
XLogP3.40
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity321

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloropyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 973099
2-(2-((6-methylpyridin-2-yl)amino)thiazol-4-yl)-N-(5-methylthiazol-2-yl)acetamide
CID 49677967
2-Amino-5-thio-substituted thiazole 61
CID 5329697
N-[4-(3-pyridylethynyl)-2-thiazolyl]acetamide
CID 11615675
2-(4-acetamidophenyl)sulfanyl-N-(5-chloropyridin-2-yl)acetamide
CID 2100279
N-(3-{2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl}phenyl)acetamide
CID 2215490
3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2594420
N-[4'-methyl-2-(2-pyridinylamino)-4,5'-bi-1,3-thiazol-2'-yl]propanamide
CID 755435
CID 22581367
CID 22581367
N-(5-chloropyridin-2-yl)-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135468959
1-(2-Chloropyridin-4-yl)-3-(4-methylthiazol-2-yl)urea
CID 145980671
6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 2082452

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-2-thiazolyl)thio]propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-2-thiazolyl)thio]propanamide (CID 9551914) is N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(4-methyl-2-thiazolyl)thio]propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(4-methyl-2-thiazolyl)thio]propanamide is CC1=CSC(=N1)SC(C)C(=O)NC2=NC=C(C=C2)Cl.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-2-thiazolyl)thio]propanamide?
The InChIKey is AYNIMJPPZBZRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS2/c1-7-6-18-12(15-7)19-8(2)11(17)16-10-4-3-9(13)5-14-10/h3-6,8H,1-2H3,(H,14,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-2-thiazolyl)thio]propanamide?
N-(5-chloro-2-pyridinyl)-2-[(4-methyl-2-thiazolyl)thio]propanamide has a molecular weight of 313.80 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(4-methyl-2-thiazolyl)thio]propanamide is sourced from PubChem (CID 9551914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).