3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C15H16Cl2N4OS — CID 145420144

IUPAC3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC2CCN(C(=O)Nc3ncc(Cl)s3)C2)ccc1Cl
InChIInChI=1S/C15H16Cl2N4OS/c1-9-6-10(2-3-12(9)16)19-11-4-5-21(8-11)15(22)20-14-18-7-13(17)23-14/h2-3,6-7,11,19H,4-5,8H2,1H3,(H,18,20,22)
InChIKeyCUOWUTDZKBIYCJ-UHFFFAOYSA-N
MW371.29 g/mol
LogP4.48
Rot. Bonds3

About 3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 145420144) has the molecular formula C15H16Cl2N4OS and a molecular weight of 371.29 g/mol. Its IUPAC name is 3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID145420144
Molecular FormulaC15H16Cl2N4OS
Molecular Weight371.29 g/mol
Exact Mass370.04
IUPAC Name3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC2CCN(C(=O)Nc3ncc(Cl)s3)C2)ccc1Cl
InChIInChI=1S/C15H16Cl2N4OS/c1-9-6-10(2-3-12(9)16)19-11-4-5-21(8-11)15(22)20-14-18-7-13(17)23-14/h2-3,6-7,11,19H,4-5,8H2,1H3,(H,18,20,22)
InChIKeyCUOWUTDZKBIYCJ-UHFFFAOYSA-N
XLogP4.48
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420088
4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420119
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420120
4-(4-chloro-3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420130
4-(4-chloro-3-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420137
4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420154
1-(3-Chloro-4-methyl-phenyl)-3-(5-chloro-thiazol-2-yl)-1-cyclopentylmethyl-urea
CID 44389882
3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide
CID 162660985
4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide
CID 162662550
4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162665276
N-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 162672593
3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
CID 162672664

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 145420144) is 3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is Cc1cc(NC2CCN(C(=O)Nc3ncc(Cl)s3)C2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is CUOWUTDZKBIYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4OS/c1-9-6-10(2-3-12(9)16)19-11-4-5-21(8-11)15(22)20-14-18-7-13(17)23-14/h2-3,6-7,11,19H,4-5,8H2,1H3,(H,18,20,22).
What are the key properties of 3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 371.29 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 145420144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).