2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide

C18H18N4OS — CID 70711066

IUPAC2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCc2[nH]ncc2C1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C18H18N4OS/c23-18(20-14-6-7-15-13(9-14)10-19-22-15)16-11-24-17(21-16)8-12-4-2-1-3-5-12/h1-5,10-11,14H,6-9H2,(H,19,22)(H,20,23)
InChIKeyWOUFFFLPUAJPAT-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.74
Rot. Bonds4

About 2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide

2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 70711066) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID70711066
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCc2[nH]ncc2C1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C18H18N4OS/c23-18(20-14-6-7-15-13(9-14)10-19-22-15)16-11-24-17(21-16)8-12-4-2-1-3-5-12/h1-5,10-11,14H,6-9H2,(H,19,22)(H,20,23)
InChIKeyWOUFFFLPUAJPAT-UHFFFAOYSA-N
XLogP2.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230199
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119455960
5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide
CID 166218790
benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate
CID 175325896
3-(3-hydroxy-3-methylbutyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 70713171
2-benzyl-N-(2-oxooxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 45224514
2-benzyl-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide
CID 70718250
2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166221899
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 163295899
N-[2-(aminomethyl)cyclohexyl]-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119609820
N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 56783188
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide (CID 70711066) is 2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CCc2[nH]ncc2C1)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WOUFFFLPUAJPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-18(20-14-6-7-15-13(9-14)10-19-22-15)16-11-24-17(21-16)8-12-4-2-1-3-5-12/h1-5,10-11,14H,6-9H2,(H,19,22)(H,20,23).
What are the key properties of 2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide?
2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70711066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).