N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide

C13H12N4OS — CID 110474112

IUPACN-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2[nH]nc3ccccc23)cs1
InChIInChI=1S/C13H12N4OS/c1-8-15-12(7-19-8)13(18)14-6-11-9-4-2-3-5-10(9)16-17-11/h2-5,7H,6H2,1H3,(H,14,18)(H,16,17)
InChIKeyJTAALDYMCWSRKJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.26
Rot. Bonds3

About N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 110474112) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID110474112
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2[nH]nc3ccccc23)cs1
InChIInChI=1S/C13H12N4OS/c1-8-15-12(7-19-8)13(18)14-6-11-9-4-2-3-5-10(9)16-17-11/h2-5,7H,6H2,1H3,(H,14,18)(H,16,17)
InChIKeyJTAALDYMCWSRKJ-UHFFFAOYSA-N
XLogP2.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110476240
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 47363953
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 110474082
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443698
N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 84595270
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443992
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443932
2-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-1,3-thiazole-4-carboxamide
CID 90550228
N-[(3-carbamothioylphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65198716
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50970588
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739

Frequently Asked Questions

What is the IUPAC name of N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 110474112) is N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2[nH]nc3ccccc23)cs1.
What is the InChIKey of N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is JTAALDYMCWSRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-15-12(7-19-8)13(18)14-6-11-9-4-2-3-5-10(9)16-17-11/h2-5,7H,6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-indazol-3-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110474112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).