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

C18H22ClN3OS — CID 119532106

IUPAC2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
SMILESCCCN(C(=O)c1sc(-c2ccc(Cl)cc2)nc1C)C1CCNC1
InChIInChI=1S/C18H22ClN3OS/c1-3-10-22(15-8-9-20-11-15)18(23)16-12(2)21-17(24-16)13-4-6-14(19)7-5-13/h4-7,15,20H,3,8-11H2,1-2H3
InChIKeyVDMYVMZXDSXERM-UHFFFAOYSA-N
MW363.91 g/mol
LogP3.99
Rot. Bonds5

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

2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 119532106) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID119532106
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC Name2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
SMILESCCCN(C(=O)c1sc(-c2ccc(Cl)cc2)nc1C)C1CCNC1
InChIInChI=1S/C18H22ClN3OS/c1-3-10-22(15-8-9-20-11-15)18(23)16-12(2)21-17(24-16)13-4-6-14(19)7-5-13/h4-7,15,20H,3,8-11H2,1-2H3
InChIKeyVDMYVMZXDSXERM-UHFFFAOYSA-N
XLogP3.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenoxy)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119532088
4-methyl-N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533114
2-[(4-fluorophenyl)methyl]-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119530004
2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119452782
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119531891
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
4-methyl-N-piperidin-4-yl-N,2-dipropyl-1,3-thiazole-5-carboxamide
CID 119824556
2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119530777
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533138
3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 81119139
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide (CID 119532106) is 2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide is CCCN(C(=O)c1sc(-c2ccc(Cl)cc2)nc1C)C1CCNC1.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VDMYVMZXDSXERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c1-3-10-22(15-8-9-20-11-15)18(23)16-12(2)21-17(24-16)13-4-6-14(19)7-5-13/h4-7,15,20H,3,8-11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide?
2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 363.91 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119532106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).