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

C18H18N4OS — CID 112841611

IUPACN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)cs1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C18H18N4OS/c23-18(17-13-8-4-5-9-14(13)21-22-17)19-10-16-20-15(11-24-16)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,19,23)(H,21,22)
InChIKeyMDRPOABHGTUAQE-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.34
Rot. Bonds4

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

N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 112841611) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID112841611
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)cs1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C18H18N4OS/c23-18(17-13-8-4-5-9-14(13)21-22-17)19-10-16-20-15(11-24-16)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,19,23)(H,21,22)
InChIKeyMDRPOABHGTUAQE-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyridazine-3-carboxamide
CID 51087114
N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820541
2-benzyl-3-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)propanoic acid
CID 75495605
N-(2-naphthalen-1-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821632
N-(2-naphthalen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821536
N-[(2-oxo-1H-quinolin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110608823
5-hydroxy-6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135971642
N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110420482
N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110423268
N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 3455772
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55842822

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 112841611) is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NCc1nc(-c2ccccc2)cs1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is MDRPOABHGTUAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-18(17-13-8-4-5-9-14(13)21-22-17)19-10-16-20-15(11-24-16)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,19,23)(H,21,22).
What are the key properties of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 112841611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).