2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride

C16H21Cl2N3OS — CID 119550827

IUPAC2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCN(C(=O)c1csc(Cc2ccccc2)n1)C1CCNC1.Cl.Cl
InChIInChI=1S/C16H19N3OS.2ClH/c1-19(13-7-8-17-10-13)16(20)14-11-21-15(18-14)9-12-5-3-2-4-6-12;;/h2-6,11,13,17H,7-10H2,1H3;2*1H
InChIKeyDTQVYAOPCFTBLG-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.01
Rot. Bonds4

About 2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride

2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119550827) has the molecular formula C16H21Cl2N3OS and a molecular weight of 374.34 g/mol. Its IUPAC name is 2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119550827
Molecular FormulaC16H21Cl2N3OS
Molecular Weight374.34 g/mol
Exact Mass373.08
IUPAC Name2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCN(C(=O)c1csc(Cc2ccccc2)n1)C1CCNC1.Cl.Cl
InChIInChI=1S/C16H19N3OS.2ClH/c1-19(13-7-8-17-10-13)16(20)14-11-21-15(18-14)9-12-5-3-2-4-6-12;;/h2-6,11,13,17H,7-10H2,1H3;2*1H
InChIKeyDTQVYAOPCFTBLG-UHFFFAOYSA-N
XLogP3.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110437086
2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
CID 119823662
2-(2-benzyl-1,3-thiazol-4-yl)-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119442266
N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119552868
2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclopropylamino]acetic acid
CID 119195383
N-methyl-2-(4-propoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119552224
2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119554017
4-[(2-benzyl-1,3-thiazole-4-carbonyl)-methylamino]butanoic acid
CID 119173292
2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 78863881
N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119444395
2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646306
2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119550263

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119550827) is 2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride is CN(C(=O)c1csc(Cc2ccccc2)n1)C1CCNC1.Cl.Cl.
What is the InChIKey of 2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is DTQVYAOPCFTBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS.2ClH/c1-19(13-7-8-17-10-13)16(20)14-11-21-15(18-14)9-12-5-3-2-4-6-12;;/h2-6,11,13,17H,7-10H2,1H3;2*1H.
What are the key properties of 2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 374.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119550827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).