N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride

C10H18Cl2N4OS — CID 119958433

IUPACN-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCC(Cn1cccn1)NC(=O)C1CSCN1.Cl.Cl
InChIInChI=1S/C10H16N4OS.2ClH/c1-8(5-14-4-2-3-12-14)13-10(15)9-6-16-7-11-9;;/h2-4,8-9,11H,5-7H2,1H3,(H,13,15);2*1H
InChIKeyCSMLQRMBWXLSET-UHFFFAOYSA-N
MW313.25 g/mol
LogP0.89
Rot. Bonds4

About N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 119958433) has the molecular formula C10H18Cl2N4OS and a molecular weight of 313.25 g/mol. Its IUPAC name is N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID119958433
Molecular FormulaC10H18Cl2N4OS
Molecular Weight313.25 g/mol
Exact Mass312.06
IUPAC NameN-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCC(Cn1cccn1)NC(=O)C1CSCN1.Cl.Cl
InChIInChI=1S/C10H16N4OS.2ClH/c1-8(5-14-4-2-3-12-14)13-10(15)9-6-16-7-11-9;;/h2-4,8-9,11H,5-7H2,1H3,(H,13,15);2*1H
InChIKeyCSMLQRMBWXLSET-UHFFFAOYSA-N
XLogP0.89
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
(2R)-5-oxo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 94820968
N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119325433
2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 79388175
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-(4-ethylsulfanylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 115734458
3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784341
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 43695419
2-amino-N-(1-pyrazol-1-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 64824492
1-amino-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 65463788
N-(4-methoxy-4-methylpentan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119334794
4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511550

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 119958433) is N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride is CC(Cn1cccn1)NC(=O)C1CSCN1.Cl.Cl.
What is the InChIKey of N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is CSMLQRMBWXLSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS.2ClH/c1-8(5-14-4-2-3-12-14)13-10(15)9-6-16-7-11-9;;/h2-4,8-9,11H,5-7H2,1H3,(H,13,15);2*1H.
What are the key properties of N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 313.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119958433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).