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

C15H12N4OS — CID 17164693

IUPACN-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1csc(-c2ccccc2)n1)c1cnccn1
InChIInChI=1S/C15H12N4OS/c20-14(13-9-16-6-7-17-13)18-8-12-10-21-15(19-12)11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,18,20)
InChIKeyHIOUAIOYGIMOQT-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.53
Rot. Bonds4

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

N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 17164693) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
PubChem CID17164693
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC NameN-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1csc(-c2ccccc2)n1)c1cnccn1
InChIInChI=1S/C15H12N4OS/c20-14(13-9-16-6-7-17-13)18-8-12-10-21-15(19-12)11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,18,20)
InChIKeyHIOUAIOYGIMOQT-UHFFFAOYSA-N
XLogP2.53
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
5-bromo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 24632147
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 24668934
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
2-(4-bromophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749094
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121028016
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138810938
2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749285
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide (CID 17164693) is N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide is O=C(NCc1csc(-c2ccccc2)n1)c1cnccn1.
What is the InChIKey of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is HIOUAIOYGIMOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c20-14(13-9-16-6-7-17-13)18-8-12-10-21-15(19-12)11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,18,20).
What are the key properties of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 17164693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).