4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide

C19H21Cl2N3O2S — CID 1463085

IUPAC4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide
SMILESCc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2nsc(Cl)c2Cl)c1C
InChIInChI=1S/C19H21Cl2N3O2S/c1-11-6-5-9-14(12(11)2)24(10-15(25)22-13-7-3-4-8-13)19(26)17-16(20)18(21)27-23-17/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,22,25)
InChIKeyXBPFVYOWLJYMCG-UHFFFAOYSA-N
MW426.37 g/mol
LogP4.77
Rot. Bonds5

About 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide

4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide (PubChem CID 1463085) has the molecular formula C19H21Cl2N3O2S and a molecular weight of 426.37 g/mol. Its IUPAC name is 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide
PubChem CID1463085
Molecular FormulaC19H21Cl2N3O2S
Molecular Weight426.37 g/mol
Exact Mass425.07
IUPAC Name4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide
SMILESCc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2nsc(Cl)c2Cl)c1C
InChIInChI=1S/C19H21Cl2N3O2S/c1-11-6-5-9-14(12(11)2)24(10-15(25)22-13-7-3-4-8-13)19(26)17-16(20)18(21)27-23-17/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,22,25)
InChIKeyXBPFVYOWLJYMCG-UHFFFAOYSA-N
XLogP4.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide (CID 1463085) is 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide is Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2nsc(Cl)c2Cl)c1C.
What is the InChIKey of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide?
The InChIKey is XBPFVYOWLJYMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2S/c1-11-6-5-9-14(12(11)2)24(10-15(25)22-13-7-3-4-8-13)19(26)17-16(20)18(21)27-23-17/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,22,25).
What are the key properties of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide has a molecular weight of 426.37 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 1463085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).