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

C17H20N4OS — CID 74545212

IUPACN-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccc(-c2cscn2)c1)C1NNC2CCCCC21
InChIInChI=1S/C17H20N4OS/c22-17(16-13-6-1-2-7-14(13)20-21-16)19-12-5-3-4-11(8-12)15-9-23-10-18-15/h3-5,8-10,13-14,16,20-21H,1-2,6-7H2,(H,19,22)
InChIKeyFSOGXEGNPZTIOI-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.78
Rot. Bonds3

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

N-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 74545212) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID74545212
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1cccc(-c2cscn2)c1)C1NNC2CCCCC21
InChIInChI=1S/C17H20N4OS/c22-17(16-13-6-1-2-7-14(13)20-21-16)19-12-5-3-4-11(8-12)15-9-23-10-18-15/h3-5,8-10,13-14,16,20-21H,1-2,6-7H2,(H,19,22)
InChIKeyFSOGXEGNPZTIOI-UHFFFAOYSA-N
XLogP2.78
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-ethyl-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 42528190
1-(4-hydroxycyclohexyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 72847558
1-(pyridin-4-ylmethyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 42517113
1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 135376255
1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 125174576
1-[(3S)-1-oxaspiro[4.4]nonan-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 97437563
1-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 97437562
1-[(4-chloro-3-fluorophenyl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 26393007
3,4-dimethoxy-N-[3-(1,3-thiazol-4-yl)phenyl]benzamide
CID 29088076
N-(4-morpholin-4-ylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 85133638
(3R)-3-hydroxy-N-[3-(1,3-thiazol-4-yl)phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97285803
N-[3-(2-methylpyrimidin-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119280482

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 74545212) is N-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is O=C(Nc1cccc(-c2cscn2)c1)C1NNC2CCCCC21.
What is the InChIKey of N-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is FSOGXEGNPZTIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c22-17(16-13-6-1-2-7-14(13)20-21-16)19-12-5-3-4-11(8-12)15-9-23-10-18-15/h3-5,8-10,13-14,16,20-21H,1-2,6-7H2,(H,19,22).
What are the key properties of N-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-thiazol-4-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 74545212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).