2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C12H10N6OS2 — CID 95919217

IUPAC2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nccnc1-n1cccn1)Nc1nccs1
InChIInChI=1S/C12H10N6OS2/c19-9(17-12-15-5-7-20-12)8-21-11-10(13-3-4-14-11)18-6-1-2-16-18/h1-7H,8H2,(H,15,17,19)
InChIKeyGMRDLRDYEMDWRU-UHFFFAOYSA-N
MW318.39 g/mol
LogP1.85
Rot. Bonds5

About 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 95919217) has the molecular formula C12H10N6OS2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID95919217
Molecular FormulaC12H10N6OS2
Molecular Weight318.39 g/mol
Exact Mass318.04
IUPAC Name2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nccnc1-n1cccn1)Nc1nccs1
InChIInChI=1S/C12H10N6OS2/c19-9(17-12-15-5-7-20-12)8-21-11-10(13-3-4-14-11)18-6-1-2-16-18/h1-7H,8H2,(H,15,17,19)
InChIKeyGMRDLRDYEMDWRU-UHFFFAOYSA-N
XLogP1.85
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetic acid
CID 95916168
N-cyclohexyl-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide
CID 95919214
4-oxo-4-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylanilino]butanoic acid
CID 22785097
2-(1-benzylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 847800
N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
CID 23964431
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 19631448
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4033040
6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid
CID 117098014
2-[[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 20851998
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 7151018

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 95919217) is 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nccnc1-n1cccn1)Nc1nccs1.
What is the InChIKey of 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GMRDLRDYEMDWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6OS2/c19-9(17-12-15-5-7-20-12)8-21-11-10(13-3-4-14-11)18-6-1-2-16-18/h1-7H,8H2,(H,15,17,19).
What are the key properties of 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 318.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95919217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).