2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

C20H19ClN4OS — CID 49322069

IUPAC2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2)c1)c1cnc(-c2ccccc2Cl)s1
InChIInChI=1S/C20H19ClN4OS/c21-16-6-2-1-5-15(16)20-24-13-17(27-20)19(26)23-12-14-7-8-22-18(11-14)25-9-3-4-10-25/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,23,26)
InChIKeyZPIPETJGSZVICS-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.39
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 49322069) has the molecular formula C20H19ClN4OS and a molecular weight of 398.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID49322069
Molecular FormulaC20H19ClN4OS
Molecular Weight398.92 g/mol
Exact Mass398.10
IUPAC Name2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2)c1)c1cnc(-c2ccccc2Cl)s1
InChIInChI=1S/C20H19ClN4OS/c21-16-6-2-1-5-15(16)20-24-13-17(27-20)19(26)23-12-14-7-8-22-18(11-14)25-9-3-4-10-25/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,23,26)
InChIKeyZPIPETJGSZVICS-UHFFFAOYSA-N
XLogP4.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 49372790
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
5-(phenylcarbamoylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 78890544
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 37311675
5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 37313292
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
2-(butanoylamino)-3,5-dichloro-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 60544444
2-hydroxy-2-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 111432227
1-[(2-chlorophenyl)methyl]-2-methyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111174635

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (CID 49322069) is 2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1ccnc(N2CCCC2)c1)c1cnc(-c2ccccc2Cl)s1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZPIPETJGSZVICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4OS/c21-16-6-2-1-5-15(16)20-24-13-17(27-20)19(26)23-12-14-7-8-22-18(11-14)25-9-3-4-10-25/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,23,26).
What are the key properties of 2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 398.92 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49322069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).