N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C17H16N4OS — CID 110628950

IUPACN-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C17H16N4OS/c22-16(15-13-3-1-2-4-14(13)20-21-15)19-12-7-5-11(6-8-12)17-18-9-10-23-17/h5-10H,1-4H2,(H,19,22)(H,20,21)
InChIKeySMPFZUCGCPHFNQ-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.66
Rot. Bonds3

About N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110628950) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110628950
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C17H16N4OS/c22-16(15-13-3-1-2-4-14(13)20-21-15)19-12-7-5-11(6-8-12)17-18-9-10-23-17/h5-10H,1-4H2,(H,19,22)(H,20,21)
InChIKeySMPFZUCGCPHFNQ-UHFFFAOYSA-N
XLogP3.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-quinoxalin-6-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 126787422
N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388915
N-(2H-benzotriazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71918378
4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 7556408
N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
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N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112818880
1-amino-N-[4-(1,3-thiazol-2-yl)phenyl]cyclobutane-1-carboxamide
CID 81179825
2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 84534803
5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110628950) is N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2nccs2)cc1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is SMPFZUCGCPHFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-16(15-13-3-1-2-4-14(13)20-21-15)19-12-7-5-11(6-8-12)17-18-9-10-23-17/h5-10H,1-4H2,(H,19,22)(H,20,21).
What are the key properties of N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110628950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).