N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide

C13H12N6OS — CID 72717477

IUPACN-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1csc(-n2cccn2)n1)c1cnccn1
InChIInChI=1S/C13H12N6OS/c20-12(11-8-14-5-6-15-11)16-4-2-10-9-21-13(18-10)19-7-1-3-17-19/h1,3,5-9H,2,4H2,(H,16,20)
InChIKeyGUJHGJDRPGJGFL-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.09
Rot. Bonds5

About N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide

N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 72717477) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide
PubChem CID72717477
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC NameN-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1csc(-n2cccn2)n1)c1cnccn1
InChIInChI=1S/C13H12N6OS/c20-12(11-8-14-5-6-15-11)16-4-2-10-9-21-13(18-10)19-7-1-3-17-19/h1,3,5-9H,2,4H2,(H,16,20)
InChIKeyGUJHGJDRPGJGFL-UHFFFAOYSA-N
XLogP1.09
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802309
N-{2-[2-(2-pyrazinyl)-1,3-thiazol-4-yl]ethyl}-1H-1,2,3-triazole-5-carboxamide
CID 56905116
N-(2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-1-methyl-1H-1,2,3-triazole-4-carboxamide
CID 71802111
1-methyl-6-oxo-N-{2-[2-(1H-pyrazol-1-yl)-1,3-thiazol-4-yl]ethyl}-1,6-dihydropyridazine-3-carboxamide
CID 71802171
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide
CID 71802211
5-(2-fluoropropan-2-yl)-2-pyrazol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 151277663
N-{2-[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]ethyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 56885407
N-(2-(1H-pyrazol-1-yl)pyrimidin-5-yl)-2,4-dimethylthiazole-5-carboxamide
CID 71789789
5-[(2-ethylpyrazol-3-yl)amino]-2-methyl-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide
CID 69345884
2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
CID 69350157
2-methyl-5-[(1-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 90991240
2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide
CID 91057898

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide (CID 72717477) is N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide is O=C(NCCc1csc(-n2cccn2)n1)c1cnccn1.
What is the InChIKey of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is GUJHGJDRPGJGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c20-12(11-8-14-5-6-15-11)16-4-2-10-9-21-13(18-10)19-7-1-3-17-19/h1,3,5-9H,2,4H2,(H,16,20).
What are the key properties of N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 72717477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).