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

C18H15N5OS — CID 124595815

IUPAC(6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESN#Cc1cccc(-c2csc(NC(=O)[C@@H]3CCc4cn[nH]c4C3)n2)c1
InChIInChI=1S/C18H15N5OS/c19-8-11-2-1-3-12(6-11)16-10-25-18(21-16)22-17(24)13-4-5-14-9-20-23-15(14)7-13/h1-3,6,9-10,13H,4-5,7H2,(H,20,23)(H,21,22,24)/t13-/m1/s1
InChIKeyHITOWUVZCLRMPZ-CYBMUJFWSA-N
MW349.42 g/mol
LogP3.15
Rot. Bonds3

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

(6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (PubChem CID 124595815) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is (6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
PubChem CID124595815
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name(6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESN#Cc1cccc(-c2csc(NC(=O)[C@@H]3CCc4cn[nH]c4C3)n2)c1
InChIInChI=1S/C18H15N5OS/c19-8-11-2-1-3-12(6-11)16-10-25-18(21-16)22-17(24)13-4-5-14-9-20-23-15(14)7-13/h1-3,6,9-10,13H,4-5,7H2,(H,20,23)(H,21,22,24)/t13-/m1/s1
InChIKeyHITOWUVZCLRMPZ-CYBMUJFWSA-N
XLogP3.15
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639917
N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide
CID 155410183
3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 86785947
3-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 156518211
(2S,4S)-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637089
3-cyano-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]benzamide
CID 35847762
3-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzonitrile
CID 63152144
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-cyclobutylideneethyl]-3-methylimidazole-4-carboxamide
CID 154668095
(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 95566509

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The IUPAC name of (6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (CID 124595815) is (6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.
What is the SMILES notation for (6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The canonical SMILES for (6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is N#Cc1cccc(-c2csc(NC(=O)[C@@H]3CCc4cn[nH]c4C3)n2)c1.
What is the InChIKey of (6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The InChIKey is HITOWUVZCLRMPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H15N5OS/c19-8-11-2-1-3-12(6-11)16-10-25-18(21-16)22-17(24)13-4-5-14-9-20-23-15(14)7-13/h1-3,6,9-10,13H,4-5,7H2,(H,20,23)(H,21,22,24)/t13-/m1/s1.
What are the key properties of (6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
(6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is sourced from PubChem (CID 124595815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).