3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide

C19H26N4O2S — CID 74620192

IUPAC3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CSCN1C(=O)C1CCCC2CNNC21
InChIInChI=1S/C19H26N4O2S/c24-18(20-9-13-5-2-1-3-6-13)16-11-26-12-23(16)19(25)15-8-4-7-14-10-21-22-17(14)15/h1-3,5-6,14-17,21-22H,4,7-12H2,(H,20,24)
InChIKeyDHCIWRZHSWRWRL-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.10
Rot. Bonds4

About 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide

3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide (PubChem CID 74620192) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide
PubChem CID74620192
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CSCN1C(=O)C1CCCC2CNNC21
InChIInChI=1S/C19H26N4O2S/c24-18(20-9-13-5-2-1-3-6-13)16-11-26-12-23(16)19(25)15-8-4-7-14-10-21-22-17(14)15/h1-3,5-6,14-17,21-22H,4,7-12H2,(H,20,24)
InChIKeyDHCIWRZHSWRWRL-UHFFFAOYSA-N
XLogP1.10
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 42749079
(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 809777
(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 97212140
N-[(4-fluorophenyl)methyl]-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 86809176
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide
CID 75129510
(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881
(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55893789
2-[1-[(2S)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid
CID 67880360
2-[(2S)-1-[(2R)-2-(benzylcarbamoyl)cyclopentanecarbonyl]pyrrolidin-2-yl]-2-oxoacetic acid
CID 15660967
(4S)-N-benzyl-3-(5-methyl-4-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 31993614
methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate
CID 55939179

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide (CID 74620192) is 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccccc1)C1CSCN1C(=O)C1CCCC2CNNC21.
What is the InChIKey of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is DHCIWRZHSWRWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c24-18(20-9-13-5-2-1-3-6-13)16-11-26-12-23(16)19(25)15-8-4-7-14-10-21-22-17(14)15/h1-3,5-6,14-17,21-22H,4,7-12H2,(H,20,24).
What are the key properties of 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide?
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carbonyl)-N-benzyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 74620192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).