N-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide

C9H14N4OS — CID 103796964

IUPACN-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1CSCN1
InChIInChI=1S/C9H14N4OS/c1-6-7(3-13(2)12-6)11-9(14)8-4-15-5-10-8/h3,8,10H,4-5H2,1-2H3,(H,11,14)
InChIKeyDWCQJJJWOIHTOO-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.33
Rot. Bonds2

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

N-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 103796964) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID103796964
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1CSCN1
InChIInChI=1S/C9H14N4OS/c1-6-7(3-13(2)12-6)11-9(14)8-4-15-5-10-8/h3,8,10H,4-5H2,1-2H3,(H,11,14)
InChIKeyDWCQJJJWOIHTOO-UHFFFAOYSA-N
XLogP0.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluoro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 103585937
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43122672
N-(2,4-dimethyl-5-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 104757731
N-(2,4,5-trifluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281208
6-[(1,3-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 19620255
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716
N-(2-methyl-3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 43708496
(3R)-N-(1,3-dimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 102805576
N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281804
N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 107574265

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide (CID 103796964) is N-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide is Cc1nn(C)cc1NC(=O)C1CSCN1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DWCQJJJWOIHTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-7(3-13(2)12-6)11-9(14)8-4-15-5-10-8/h3,8,10H,4-5H2,1-2H3,(H,11,14).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 103796964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).