2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide

C10H10N4OS2 — CID 4664272

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
SMILESCc1csc(SCC(=O)Nc2ncccn2)n1
InChIInChI=1S/C10H10N4OS2/c1-7-5-16-10(13-7)17-6-8(15)14-9-11-3-2-4-12-9/h2-5H,6H2,1H3,(H,11,12,14,15)
InChIKeyMXVLRRYKTCAMJL-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.97
Rot. Bonds4

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide (PubChem CID 4664272) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
PubChem CID4664272
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
SMILESCc1csc(SCC(=O)Nc2ncccn2)n1
InChIInChI=1S/C10H10N4OS2/c1-7-5-16-10(13-7)17-6-8(15)14-9-11-3-2-4-12-9/h2-5H,6H2,1H3,(H,11,12,14,15)
InChIKeyMXVLRRYKTCAMJL-UHFFFAOYSA-N
XLogP1.97
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 691775
2-(4,6-Diamino-pyrimidin-2-ylsulfanyl)-N-(4,5-dimethyl-thiazol-2-yl)-acetamide
CID 3173027
N-(4-methyl-1,3-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
CID 653439
4-(aminomethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49778112
4-(1-aminoethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49791397
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-(pyrimidin-2-ylthio)acetamide
CID 2928978
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 45810875
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]piperazine-1-carboxamide
CID 45832120
1-[4-[(2-Pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 45833522
N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 47053761
2-[Propan-2-yl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 53525087
N-pyrimidin-2-yl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 53558195

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide (CID 4664272) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide is Cc1csc(SCC(=O)Nc2ncccn2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
The InChIKey is MXVLRRYKTCAMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c1-7-5-16-10(13-7)17-6-8(15)14-9-11-3-2-4-12-9/h2-5H,6H2,1H3,(H,11,12,14,15).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide has a molecular weight of 266.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 4664272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).