3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C18H20Cl2N2OS — CID 22315145

IUPAC3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(CC2CCCC2)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C18H20Cl2N2OS/c1-11-10-21-18(24-11)22-17(23)14(8-12-4-2-3-5-12)13-6-7-15(19)16(20)9-13/h6-7,9-10,12,14H,2-5,8H2,1H3,(H,21,22,23)
InChIKeyOZHXKHHSTCCYRN-UHFFFAOYSA-N
MW383.34 g/mol
LogP6.06
Rot. Bonds5

About 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 22315145) has the molecular formula C18H20Cl2N2OS and a molecular weight of 383.34 g/mol. Its IUPAC name is 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID22315145
Molecular FormulaC18H20Cl2N2OS
Molecular Weight383.34 g/mol
Exact Mass382.07
IUPAC Name3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(CC2CCCC2)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C18H20Cl2N2OS/c1-11-10-21-18(24-11)22-17(23)14(8-12-4-2-3-5-12)13-6-7-15(19)16(20)9-13/h6-7,9-10,12,14H,2-5,8H2,1H3,(H,21,22,23)
InChIKeyOZHXKHHSTCCYRN-UHFFFAOYSA-N
XLogP6.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.34
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide
CID 4307629
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 854189
(S)-4-Cmtb
CID 46226252
(2S)-2-(4-chlorophenyl)-3,3-dimethyl-N-(5-phenyl-1,3-thiazol-2-yl)butanamide
CID 46226294
2-(2-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2673027
(3,4-Dichlorophenyl)[2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 1485901
3-Cyclopentyl-2-(3,4-dichlorophenyl)-N-thiazol-2-yl-propionamide
CID 9820651
(E)-3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 10270299
3-Cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-hydroxymethyl-thiazol-2-yl)-propionamide
CID 12088921
2-phenyl-N-(5-propan-2-yl-2-thiazolyl)acetamide
CID 16760027
Methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 46221803
(S)-2-(4-chlorophenyl)-3-methyl-N-(5-methylthiazol-2-yl)butanamide
CID 2397905

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 22315145) is 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)C(CC2CCCC2)c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is OZHXKHHSTCCYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2OS/c1-11-10-21-18(24-11)22-17(23)14(8-12-4-2-3-5-12)13-6-7-15(19)16(20)9-13/h6-7,9-10,12,14H,2-5,8H2,1H3,(H,21,22,23).
What are the key properties of 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 383.34 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 22315145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).