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

C17H18N4OS2 — CID 53139181

IUPACN-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1csc(-c2cc(NC(=O)c3n[nH]c4c3CCCC4)c(C)s2)n1
InChIInChI=1S/C17H18N4OS2/c1-9-8-23-17(18-9)14-7-13(10(2)24-14)19-16(22)15-11-5-3-4-6-12(11)20-21-15/h7-8H,3-6H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPQADXGVGTDGHBT-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.34
Rot. Bonds3

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

N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 53139181) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID53139181
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC NameN-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1csc(-c2cc(NC(=O)c3n[nH]c4c3CCCC4)c(C)s2)n1
InChIInChI=1S/C17H18N4OS2/c1-9-8-23-17(18-9)14-7-13(10(2)24-14)19-16(22)15-11-5-3-4-6-12(11)20-21-15/h7-8H,3-6H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPQADXGVGTDGHBT-UHFFFAOYSA-N
XLogP4.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide
CID 9869058
N'-[(1E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-3-thien-2-yl-1H-pyrazole-5-carbohydrazide
CID 6862122
N'-[(1E)-(2-methyl-1H-indol-3-yl)methylene]-3-thien-2-yl-1H-pyrazole-5-carbohydrazide
CID 135498060
1-ethyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(1-pyrrolidinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 45164786
3-(4-fluorophenyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-1H-pyrazole-5-carboxamide
CID 70753029
N-(4-fluorophenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 162644719
5-[2-(4-iodophenyl)-4-methyl-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 162662210
N-(4-tert-butylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 162664569
5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 162665515
N-(4-butylphenyl)-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 162669271
N-(2-(benzo[d]thiazol-2-yl)phenyl)-1-ethyl-5-methyl-1H-pyrazole-3-carboxamide
CID 25855624
3-(2,4-dimethylthiazol-5-yl)-N-(4-ethylbenzyl)-1H-pyrazole-5-carboxamide
CID 30848808

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 53139181) is N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1csc(-c2cc(NC(=O)c3n[nH]c4c3CCCC4)c(C)s2)n1.
What is the InChIKey of N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is PQADXGVGTDGHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-9-8-23-17(18-9)14-7-13(10(2)24-14)19-16(22)15-11-5-3-4-6-12(11)20-21-15/h7-8H,3-6H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 53139181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).