N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide

C13H16N4OS — CID 119305675

IUPACN-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide
SMILESCCn1ncc2ccc(NC(=O)C3CSCN3)cc21
InChIInChI=1S/C13H16N4OS/c1-2-17-12-5-10(4-3-9(12)6-15-17)16-13(18)11-7-19-8-14-11/h3-6,11,14H,2,7-8H2,1H3,(H,16,18)
InChIKeyVVSRGSBTWBEQIO-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.66
Rot. Bonds3

About N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide

N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 119305675) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID119305675
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide
SMILESCCn1ncc2ccc(NC(=O)C3CSCN3)cc21
InChIInChI=1S/C13H16N4OS/c1-2-17-12-5-10(4-3-9(12)6-15-17)16-13(18)11-7-19-8-14-11/h3-6,11,14H,2,7-8H2,1H3,(H,16,18)
InChIKeyVVSRGSBTWBEQIO-UHFFFAOYSA-N
XLogP1.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,6R)-N-(1-ethylindazol-6-yl)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide
CID 95140057
(2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide
CID 120790106
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24703459
N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61250253
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510
N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 43702559
2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride
CID 119305696
N-[4-(triazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43697835
N-quinoxalin-6-yl-1,3-thiazolidine-4-carboxamide
CID 54862020
N-[3-(ethylcarbamoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119307462
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide (CID 119305675) is N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide is CCn1ncc2ccc(NC(=O)C3CSCN3)cc21.
What is the InChIKey of N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VVSRGSBTWBEQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-2-17-12-5-10(4-3-9(12)6-15-17)16-13(18)11-7-19-8-14-11/h3-6,11,14H,2,7-8H2,1H3,(H,16,18).
What are the key properties of N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide?
N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119305675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).