N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide

C17H19N3O3S — CID 53158381

IUPACN-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1csc(C(=O)N2CCCC2)n1
InChIInChI=1S/C17H19N3O3S/c1-23-14-7-3-2-6-12(14)10-18-15(21)13-11-24-16(19-13)17(22)20-8-4-5-9-20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,21)
InChIKeyXMLBUMOTSWHUFA-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.32
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide

N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide (PubChem CID 53158381) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
PubChem CID53158381
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1csc(C(=O)N2CCCC2)n1
InChIInChI=1S/C17H19N3O3S/c1-23-14-7-3-2-6-12(14)10-18-15(21)13-11-24-16(19-13)17(22)20-8-4-5-9-20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,21)
InChIKeyXMLBUMOTSWHUFA-UHFFFAOYSA-N
XLogP2.32
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158382
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051991
N-[(2-methoxyphenyl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694211
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158390
N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158373
2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[(2-methoxyphenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517303
4-amino-N-[(2-methoxyphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide
CID 52905820
2-(1-aminopropyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3830982
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109084938

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide (CID 53158381) is N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide is COc1ccccc1CNC(=O)c1csc(C(=O)N2CCCC2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XMLBUMOTSWHUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-23-14-7-3-2-6-12(14)10-18-15(21)13-11-24-16(19-13)17(22)20-8-4-5-9-20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53158381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).