2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide

C15H15Cl2N3OS — CID 119550263

IUPAC2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C1CCNC1
InChIInChI=1S/C15H15Cl2N3OS/c1-20(10-4-5-18-7-10)15(21)13-8-22-14(19-13)11-3-2-9(16)6-12(11)17/h2-3,6,8,10,18H,4-5,7H2,1H3
InChIKeyMFEWCDZETKOIIL-UHFFFAOYSA-N
MW356.28 g/mol
LogP3.55
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide

2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 119550263) has the molecular formula C15H15Cl2N3OS and a molecular weight of 356.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID119550263
Molecular FormulaC15H15Cl2N3OS
Molecular Weight356.28 g/mol
Exact Mass355.03
IUPAC Name2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C1CCNC1
InChIInChI=1S/C15H15Cl2N3OS/c1-20(10-4-5-18-7-10)15(21)13-8-22-14(19-13)11-3-2-9(16)6-12(11)17/h2-3,6,8,10,18H,4-5,7H2,1H3
InChIKeyMFEWCDZETKOIIL-UHFFFAOYSA-N
XLogP3.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119554017
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119553730
N-methyl-2-propan-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119552868
N-methyl-2-(4-propoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119552224
1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119554673
N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119444395
2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119550827
N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119444482
N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119443831
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
7-chloro-N-methyl-N-piperidin-4-ylquinoline-2-carboxamide;dihydrochloride
CID 119442428
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide (CID 119550263) is 2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)C1CCNC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MFEWCDZETKOIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3OS/c1-20(10-4-5-18-7-10)15(21)13-8-22-14(19-13)11-3-2-9(16)6-12(11)17/h2-3,6,8,10,18H,4-5,7H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide?
2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 356.28 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119550263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).