2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C17H18N6OS — CID 59332322

IUPAC2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-n2ccnc2)n1
InChIInChI=1S/C17H18N6OS/c24-16(14-11-25-17(21-14)23-10-7-19-12-23)20-13-3-1-2-4-15(13)22-8-5-18-6-9-22/h1-4,7,10-12,18H,5-6,8-9H2,(H,20,24)
InChIKeyLXPMMNROMBQULH-UHFFFAOYSA-N
MW354.44 g/mol
LogP1.99
Rot. Bonds4

About 2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 59332322) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID59332322
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-n2ccnc2)n1
InChIInChI=1S/C17H18N6OS/c24-16(14-11-25-17(21-14)23-10-7-19-12-23)20-13-3-1-2-4-15(13)22-8-5-18-6-9-22/h1-4,7,10-12,18H,5-6,8-9H2,(H,20,24)
InChIKeyLXPMMNROMBQULH-UHFFFAOYSA-N
XLogP1.99
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 39005031
2-(Phenylamino)-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 24779781
2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24779782
2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24955890
2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24967393
N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332354
5-(4-phenylpiperazine-1-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
CID 44142710
[2-Amino-3-(4-fluorophenyl)imidazol-4-yl]-(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 145986670
1-phenyl-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]-1H-imidazole-5-carboxamide
CID 16360478
N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide
CID 24956257
2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24956971
2-[3-(1H-benzimidazol-2-ylamino)propyl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 129052098

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 59332322) is 2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LXPMMNROMBQULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c24-16(14-11-25-17(21-14)23-10-7-19-12-23)20-13-3-1-2-4-15(13)22-8-5-18-6-9-22/h1-4,7,10-12,18H,5-6,8-9H2,(H,20,24).
What are the key properties of 2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).