N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

C10H17Cl2N3OS2 — CID 119841465

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCc1nc(CCNC(=O)C2CSCN2)cs1.Cl.Cl
InChIInChI=1S/C10H15N3OS2.2ClH/c1-7-13-8(4-16-7)2-3-11-10(14)9-5-15-6-12-9;;/h4,9,12H,2-3,5-6H2,1H3,(H,11,14);2*1H
InChIKeyNDRBJJGYHDRXLL-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.62
Rot. Bonds4

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (PubChem CID 119841465) has the molecular formula C10H17Cl2N3OS2 and a molecular weight of 330.31 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
PubChem CID119841465
Molecular FormulaC10H17Cl2N3OS2
Molecular Weight330.31 g/mol
Exact Mass329.02
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
SMILESCc1nc(CCNC(=O)C2CSCN2)cs1.Cl.Cl
InChIInChI=1S/C10H15N3OS2.2ClH/c1-7-13-8(4-16-7)2-3-11-10(14)9-5-15-6-12-9;;/h4,9,12H,2-3,5-6H2,1H3,(H,11,14);2*1H
InChIKeyNDRBJJGYHDRXLL-UHFFFAOYSA-N
XLogP1.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 103629888
4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide
CID 106047519
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103629909
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119841463
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790265
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
CID 110471916
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119299728
N-(2-naphthalen-1-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288849
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119900159

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride (CID 119841465) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is Cc1nc(CCNC(=O)C2CSCN2)cs1.Cl.Cl.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
The InChIKey is NDRBJJGYHDRXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2.2ClH/c1-7-13-8(4-16-7)2-3-11-10(14)9-5-15-6-12-9;;/h4,9,12H,2-3,5-6H2,1H3,(H,11,14);2*1H.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride has a molecular weight of 330.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119841465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).