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

C11H10ClN3OS2 — CID 2125057

IUPACN-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C11H10ClN3OS2/c1-7-5-17-11(14-7)18-6-10(16)15-9-3-2-8(12)4-13-9/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyKPVDBHRTXOFQDK-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.23
Rot. Bonds4

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

N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 2125057) has the molecular formula C11H10ClN3OS2 and a molecular weight of 299.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID2125057
Molecular FormulaC11H10ClN3OS2
Molecular Weight299.81 g/mol
Exact Mass299.00
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C11H10ClN3OS2/c1-7-5-17-11(14-7)18-6-10(16)15-9-3-2-8(12)4-13-9/h2-5H,6H2,1H3,(H,13,15,16)
InChIKeyKPVDBHRTXOFQDK-UHFFFAOYSA-N
XLogP3.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.23
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-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
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
N-[4-[2-[(5-chloropyridin-2-yl)amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 972726
(5-Chloro-pyridin-2-yl)-(2',4'-dimethyl-[4,5']bithiazolyl-2-yl)-amine
CID 973178

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 2125057) is N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)Nc2ccc(Cl)cn2)n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is KPVDBHRTXOFQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS2/c1-7-5-17-11(14-7)18-6-10(16)15-9-3-2-8(12)4-13-9/h2-5H,6H2,1H3,(H,13,15,16).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 299.81 g/mol, XLogP of 3.23, 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-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2125057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).