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

C18H19Cl2N3O2S — CID 1463084

IUPAC4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide
SMILESCc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2nsc(Cl)c2Cl)cc1
InChIInChI=1S/C18H19Cl2N3O2S/c1-11-6-8-13(9-7-11)23(10-14(24)21-12-4-2-3-5-12)18(25)16-15(19)17(20)26-22-16/h6-9,12H,2-5,10H2,1H3,(H,21,24)
InChIKeyPVCJCUPHXINVKR-UHFFFAOYSA-N
MW412.34 g/mol
LogP4.46
Rot. Bonds5

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

4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide (PubChem CID 1463084) has the molecular formula C18H19Cl2N3O2S and a molecular weight of 412.34 g/mol. Its IUPAC name is 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide
PubChem CID1463084
Molecular FormulaC18H19Cl2N3O2S
Molecular Weight412.34 g/mol
Exact Mass411.06
IUPAC Name4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide
SMILESCc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2nsc(Cl)c2Cl)cc1
InChIInChI=1S/C18H19Cl2N3O2S/c1-11-6-8-13(9-7-11)23(10-14(24)21-12-4-2-3-5-12)18(25)16-15(19)17(20)26-22-16/h6-9,12H,2-5,10H2,1H3,(H,21,24)
InChIKeyPVCJCUPHXINVKR-UHFFFAOYSA-N
XLogP4.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 54.46
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-(4-methylphenyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide (CID 1463084) is 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide is Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2nsc(Cl)c2Cl)cc1.
What is the InChIKey of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide?
The InChIKey is PVCJCUPHXINVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2S/c1-11-6-8-13(9-7-11)23(10-14(24)21-12-4-2-3-5-12)18(25)16-15(19)17(20)26-22-16/h6-9,12H,2-5,10H2,1H3,(H,21,24).
What are the key properties of 4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methylphenyl)-1,2-thiazole-3-carboxamide has a molecular weight of 412.34 g/mol, XLogP of 4.46, 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-(4-methylphenyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 1463084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).