4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide

C18H18N4O2S — CID 112808240

IUPAC4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C18H18N4O2S/c23-14-11-22(12-7-3-1-4-8-12)21-16(14)17(24)20-18-19-13-9-5-2-6-10-15(13)25-18/h1,3-4,7-8,11,23H,2,5-6,9-10H2,(H,19,20,24)
InChIKeyIBBQPUSXYPUISM-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.56
Rot. Bonds3

About 4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide

4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 112808240) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID112808240
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCCC2)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C18H18N4O2S/c23-14-11-22(12-7-3-1-4-8-12)21-16(14)17(24)20-18-19-13-9-5-2-6-10-15(13)25-18/h1,3-4,7-8,11,23H,2,5-6,9-10H2,(H,19,20,24)
InChIKeyIBBQPUSXYPUISM-UHFFFAOYSA-N
XLogP3.56
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dimethoxyphenyl)-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 16601465
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2940142
1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
CID 112825128
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 56809268
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
4-bromo-2-hydroxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 63526621
1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 2482039
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
3-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazine-2-carboxamide
CID 17456714
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63615433

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide (CID 112808240) is 4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide is O=C(Nc1nc2c(s1)CCCCC2)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of 4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is IBBQPUSXYPUISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-14-11-22(12-7-3-1-4-8-12)21-16(14)17(24)20-18-19-13-9-5-2-6-10-15(13)25-18/h1,3-4,7-8,11,23H,2,5-6,9-10H2,(H,19,20,24).
What are the key properties of 4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide?
4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 112808240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).