N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C14H21ClN4O2S — CID 119515776

IUPACN-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)(C)C(=O)N1CSCC1C(=O)Nc1ccc(N)nc1.Cl
InChIInChI=1S/C14H20N4O2S.ClH/c1-14(2,3)13(20)18-8-21-7-10(18)12(19)17-9-4-5-11(15)16-6-9;/h4-6,10H,7-8H2,1-3H3,(H2,15,16)(H,17,19);1H
InChIKeySJIWJZSYSBJNCS-UHFFFAOYSA-N
MW344.87 g/mol
LogP1.97
Rot. Bonds2

About N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119515776) has the molecular formula C14H21ClN4O2S and a molecular weight of 344.87 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119515776
Molecular FormulaC14H21ClN4O2S
Molecular Weight344.87 g/mol
Exact Mass344.11
IUPAC NameN-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)(C)C(=O)N1CSCC1C(=O)Nc1ccc(N)nc1.Cl
InChIInChI=1S/C14H20N4O2S.ClH/c1-14(2,3)13(20)18-8-21-7-10(18)12(19)17-9-4-5-11(15)16-6-9;/h4-6,10H,7-8H2,1-3H3,(H2,15,16)(H,17,19);1H
InChIKeySJIWJZSYSBJNCS-UHFFFAOYSA-N
XLogP1.97
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.87
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119515776) is N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is CC(C)(C)C(=O)N1CSCC1C(=O)Nc1ccc(N)nc1.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is SJIWJZSYSBJNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S.ClH/c1-14(2,3)13(20)18-8-21-7-10(18)12(19)17-9-4-5-11(15)16-6-9;/h4-6,10H,7-8H2,1-3H3,(H2,15,16)(H,17,19);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 344.87 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119515776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).