N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide

C17H13N5OS3 — CID 75466941

IUPACN-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3csc(-c4cnccn4)n3)sc2C)s1
InChIInChI=1S/C17H13N5OS3/c1-9-3-4-13(25-9)14-10(2)26-17(21-14)22-15(23)12-8-24-16(20-12)11-7-18-5-6-19-11/h3-8H,1-2H3,(H,21,22,23)
InChIKeyMWVBBYQHFLPLGM-UHFFFAOYSA-N
MW399.53 g/mol
LogP4.65
Rot. Bonds4

About N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide

N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 75466941) has the molecular formula C17H13N5OS3 and a molecular weight of 399.53 g/mol. Its IUPAC name is N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID75466941
Molecular FormulaC17H13N5OS3
Molecular Weight399.53 g/mol
Exact Mass399.03
IUPAC NameN-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3csc(-c4cnccn4)n3)sc2C)s1
InChIInChI=1S/C17H13N5OS3/c1-9-3-4-13(25-9)14-10(2)26-17(21-14)22-15(23)12-8-24-16(20-12)11-7-18-5-6-19-11/h3-8H,1-2H3,(H,21,22,23)
InChIKeyMWVBBYQHFLPLGM-UHFFFAOYSA-N
XLogP4.65
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 100617019
N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 75469782
(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 119369567
N-(4-methylphenyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037016
4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 120534939
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205846
N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 97310908
N-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 6734087
1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350659
N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111697417
N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 75466942
N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111485207

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide (CID 75466941) is N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(NC(=O)c3csc(-c4cnccn4)n3)sc2C)s1.
What is the InChIKey of N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MWVBBYQHFLPLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS3/c1-9-3-4-13(25-9)14-10(2)26-17(21-14)22-15(23)12-8-24-16(20-12)11-7-18-5-6-19-11/h3-8H,1-2H3,(H,21,22,23).
What are the key properties of N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide?
N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 399.53 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75466941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).