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

C12H14N4OS — CID 110674224

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1csc(NC(=O)c2n[nH]c3c2CCCC3)n1
InChIInChI=1S/C12H14N4OS/c1-7-6-18-12(13-7)14-11(17)10-8-4-2-3-5-9(8)15-16-10/h6H,2-5H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyHIMPKKCVNYAPNI-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.31
Rot. Bonds2

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

N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110674224) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110674224
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1csc(NC(=O)c2n[nH]c3c2CCCC3)n1
InChIInChI=1S/C12H14N4OS/c1-7-6-18-12(13-7)14-11(17)10-8-4-2-3-5-9(8)15-16-10/h6H,2-5H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyHIMPKKCVNYAPNI-UHFFFAOYSA-N
XLogP2.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110674224) is N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1csc(NC(=O)c2n[nH]c3c2CCCC3)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is HIMPKKCVNYAPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-6-18-12(13-7)14-11(17)10-8-4-2-3-5-9(8)15-16-10/h6H,2-5H2,1H3,(H,15,16)(H,13,14,17).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110674224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).