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

C13H16N4OS — CID 110674225

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1nc(NC(=O)c2n[nH]c3c2CCCC3)sc1C
InChIInChI=1S/C13H16N4OS/c1-7-8(2)19-13(14-7)15-12(18)11-9-5-3-4-6-10(9)16-17-11/h3-6H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyZHGHCYHYHFFPBN-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.61
Rot. Bonds2

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110674225) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110674225
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1nc(NC(=O)c2n[nH]c3c2CCCC3)sc1C
InChIInChI=1S/C13H16N4OS/c1-7-8(2)19-13(14-7)15-12(18)11-9-5-3-4-6-10(9)16-17-11/h3-6H2,1-2H3,(H,16,17)(H,14,15,18)
InChIKeyZHGHCYHYHFFPBN-UHFFFAOYSA-N
XLogP2.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110674225) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1nc(NC(=O)c2n[nH]c3c2CCCC3)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is ZHGHCYHYHFFPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-7-8(2)19-13(14-7)15-12(18)11-9-5-3-4-6-10(9)16-17-11/h3-6H2,1-2H3,(H,16,17)(H,14,15,18).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110674225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).