2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide

C9H8N4OS2 — CID 708835

IUPAC2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1ncccn1)Nc1nccs1
InChIInChI=1S/C9H8N4OS2/c14-7(13-9-12-4-5-15-9)6-16-8-10-2-1-3-11-8/h1-5H,6H2,(H,12,13,14)
InChIKeyXBACVHMHPJDMAW-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.66
Rot. Bonds4

About 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 708835) has the molecular formula C9H8N4OS2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID708835
Molecular FormulaC9H8N4OS2
Molecular Weight252.32 g/mol
Exact Mass252.01
IUPAC Name2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1ncccn1)Nc1nccs1
InChIInChI=1S/C9H8N4OS2/c14-7(13-9-12-4-5-15-9)6-16-8-10-2-1-3-11-8/h1-5H,6H2,(H,12,13,14)
InChIKeyXBACVHMHPJDMAW-UHFFFAOYSA-N
XLogP1.66
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Pyrimidin-4-ylamino)thiazole-5-carbonitrile
CID 21934605
2-(2-Aminopyrimidin-4-ylamino)thiazole-5-carbonitrile
CID 21934687
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 691775
N-(5-Methyl-thiazol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)-acetamide
CID 24793460
Guanidine, N-(1,1-dimethylpropyl)-N'-2-pyrimidinyl-N''-2-thiazolyl-
CID 3055130
5-Pyrimidin-2-ylsulfinyl-1,3-thiazol-2-amine
CID 15729207
N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)-2-(pyrimidin-2-ylthio)acetamide
CID 2928978
3-(Pyrimidin-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 45822006
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 47110332
3-(Pyrimidin-2-ylamino)-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 48504780
N-[2-(pyrimidin-2-ylamino)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084882
2-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53547436

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 708835) is 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1ncccn1)Nc1nccs1.
What is the InChIKey of 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XBACVHMHPJDMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS2/c14-7(13-9-12-4-5-15-9)6-16-8-10-2-1-3-11-8/h1-5H,6H2,(H,12,13,14).
What are the key properties of 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 708835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).