N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide

C12H13N3OS2 — CID 47265578

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESCc1cnc(NC(=O)CSCc2ccncc2)s1
InChIInChI=1S/C12H13N3OS2/c1-9-6-14-12(18-9)15-11(16)8-17-7-10-2-4-13-5-3-10/h2-6H,7-8H2,1H3,(H,14,15,16)
InChIKeyCSHSFFDBAOVKSH-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.72
Rot. Bonds5

About N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide (PubChem CID 47265578) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
PubChem CID47265578
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
SMILESCc1cnc(NC(=O)CSCc2ccncc2)s1
InChIInChI=1S/C12H13N3OS2/c1-9-6-14-12(18-9)15-11(16)8-17-7-10-2-4-13-5-3-10/h2-6H,7-8H2,1H3,(H,14,15,16)
InChIKeyCSHSFFDBAOVKSH-UHFFFAOYSA-N
XLogP2.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103683
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4788646
N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide
CID 167930528
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
2-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23992686
2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23854688
2-[(4-aminophenyl)methylsulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82178462
2-(2-hydroxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 78990794
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3892980
N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 75117631
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 16615164

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide (CID 47265578) is N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide is Cc1cnc(NC(=O)CSCc2ccncc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
The InChIKey is CSHSFFDBAOVKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-9-6-14-12(18-9)15-11(16)8-17-7-10-2-4-13-5-3-10/h2-6H,7-8H2,1H3,(H,14,15,16).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide has a molecular weight of 279.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 47265578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).