N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide

C11H11N3OS2 — CID 5329697

IUPACN-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCc2ccccn2)s1
InChIInChI=1S/C11H11N3OS2/c1-8(15)14-11-13-6-10(17-11)16-7-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,13,14,15)
InChIKeyQBIJITXIGVYJRO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.79
Rot. Bonds4

About N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide

N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 5329697) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide
PubChem CID5329697
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC NameN-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(SCc2ccccn2)s1
InChIInChI=1S/C11H11N3OS2/c1-8(15)14-11-13-6-10(17-11)16-7-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,13,14,15)
InChIKeyQBIJITXIGVYJRO-UHFFFAOYSA-N
XLogP2.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide
CID 5327096
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556143
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
Thiourea, N-(2-(2-pyridinyl)ethyl)-N'-2-thiazolyl-
CID 3001095
2-(2-((6-methylpyridin-2-yl)amino)thiazol-4-yl)-N-(5-methylthiazol-2-yl)acetamide
CID 49677967
N-(5-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 46872297
5-methyl-N-[4-(2-thienyl)-1,3-thiazol-2-yl]-2-pyridinamine
CID 972421
N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 1204786
N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 2463754
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2140504
2-Amino-5-thio-substituted thiazole 62
CID 5329698

Frequently Asked Questions

What is the IUPAC name of N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide (CID 5329697) is N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(SCc2ccccn2)s1.
What is the InChIKey of N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QBIJITXIGVYJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-8(15)14-11-13-6-10(17-11)16-7-9-4-2-3-5-12-9/h2-6H,7H2,1H3,(H,13,14,15).
What are the key properties of N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide?
N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5329697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).