2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride

C9H13Cl2N3OS — CID 19894077

IUPAC2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CSC(c2cccnc2)N1
InChIInChI=1S/C9H11N3OS.2ClH/c10-8(13)7-5-14-9(12-7)6-2-1-3-11-4-6;;/h1-4,7,9,12H,5H2,(H2,10,13);2*1H
InChIKeyISMZFUQJZSEZMM-UHFFFAOYSA-N
MW282.20 g/mol
LogP1.11
Rot. Bonds2

About 2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride

2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 19894077) has the molecular formula C9H13Cl2N3OS and a molecular weight of 282.20 g/mol. Its IUPAC name is 2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID19894077
Molecular FormulaC9H13Cl2N3OS
Molecular Weight282.20 g/mol
Exact Mass281.02
IUPAC Name2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CSC(c2cccnc2)N1
InChIInChI=1S/C9H11N3OS.2ClH/c10-8(13)7-5-14-9(12-7)6-2-1-3-11-4-6;;/h1-4,7,9,12H,5H2,(H2,10,13);2*1H
InChIKeyISMZFUQJZSEZMM-UHFFFAOYSA-N
XLogP1.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 14881601
(2,5-dimethyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
CID 10246465
(2,5-dimethyl-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
CID 57113167
(4R)-N-(3-chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 10313907
methyl (2S)-4-methyl-2-[(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)amino]pentanoate
CID 14881578
N-(3-benzoylphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 67898557
N-(3-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 14881592
(7-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
CID 11723716
2-[3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indol-1-yl]acetic acid;dihydrochloride
CID 45260555
N-(3-butoxypropyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 14881673
N,N-dimethyl-3-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indole-1-carboxamide
CID 57303606
(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid
CID 68805778

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of 2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 19894077) is 2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1CSC(c2cccnc2)N1.
What is the InChIKey of 2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is ISMZFUQJZSEZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS.2ClH/c10-8(13)7-5-14-9(12-7)6-2-1-3-11-4-6;;/h1-4,7,9,12H,5H2,(H2,10,13);2*1H.
What are the key properties of 2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride?
2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 282.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 19894077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).