3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide

C11H10N6OS2 — CID 47058100

IUPAC3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESCc1nc(NC(=O)c2nccnc2N)sc1SCC#N
InChIInChI=1S/C11H10N6OS2/c1-6-10(19-5-2-12)20-11(16-6)17-9(18)7-8(13)15-4-3-14-7/h3-4H,5H2,1H3,(H2,13,15)(H,16,17,18)
InChIKeyQEBSKEVHNYBABV-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.69
Rot. Bonds4

About 3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide

3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 47058100) has the molecular formula C11H10N6OS2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID47058100
Molecular FormulaC11H10N6OS2
Molecular Weight306.38 g/mol
Exact Mass306.04
IUPAC Name3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESCc1nc(NC(=O)c2nccnc2N)sc1SCC#N
InChIInChI=1S/C11H10N6OS2/c1-6-10(19-5-2-12)20-11(16-6)17-9(18)7-8(13)15-4-3-14-7/h3-4H,5H2,1H3,(H2,13,15)(H,16,17,18)
InChIKeyQEBSKEVHNYBABV-UHFFFAOYSA-N
XLogP1.69
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 55788445
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylthiophene-2-carboxamide
CID 60517848
2,2-dichloro-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 78887150
2-butyl-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55787970
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 55788254
N-[1-[[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55785434
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-4-(thiomorpholin-4-ylmethyl)benzamide
CID 51132936
ethyl N-[1-[[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 47058106
5-chloro-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 47047713
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 87001779
3-amino-N-(4-methyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 18138823
N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 55846489

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 47058100) is 3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide is Cc1nc(NC(=O)c2nccnc2N)sc1SCC#N.
What is the InChIKey of 3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is QEBSKEVHNYBABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6OS2/c1-6-10(19-5-2-12)20-11(16-6)17-9(18)7-8(13)15-4-3-14-7/h3-4H,5H2,1H3,(H2,13,15)(H,16,17,18).
What are the key properties of 3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 306.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 47058100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).