N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

C11H11N3OS2 — CID 29437348

IUPACN-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CSc2ccccn2)cs1
InChIInChI=1S/C11H11N3OS2/c1-8(15)13-11-14-9(7-17-11)6-16-10-4-2-3-5-12-10/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyWDOSRQMDAHSKNE-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.79
Rot. Bonds4

About N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide

N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 29437348) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID29437348
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC NameN-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CSc2ccccn2)cs1
InChIInChI=1S/C11H11N3OS2/c1-8(15)13-11-14-9(7-17-11)6-16-10-4-2-3-5-12-10/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyWDOSRQMDAHSKNE-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

2-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 26435129
4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63580249
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
N-[4-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 51096550
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-pyridin-2-ylsulfanylpropanamide
CID 23833216
N-[4-[[(4-chlorophenyl)-phenylmethyl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112777248
N-[4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112779793
N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 47137996
N-(4-phenyl-1,3-thiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 1426864
2-acetamido-3-pyridin-2-ylsulfanylpropanoic acid
CID 64582685
3-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-2-aminopropanoic acid
CID 43414247
2-[(4-methylphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole
CID 92760742

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide (CID 29437348) is N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CSc2ccccn2)cs1.
What is the InChIKey of N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is WDOSRQMDAHSKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-8(15)13-11-14-9(7-17-11)6-16-10-4-2-3-5-12-10/h2-5,7H,6H2,1H3,(H,13,14,15).
What are the key properties of N-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(pyridin-2-ylsulfanylmethyl)-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-[4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 29437348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).