2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide

C19H26BrN3OS — CID 46861986

IUPAC2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide
SMILESBr.Cc1ccc(NC(=O)Cc2c(C)s/c(=N\C3CCCC3)n2C)cc1
InChIInChI=1S/C19H25N3OS.BrH/c1-13-8-10-16(11-9-13)20-18(23)12-17-14(2)24-19(22(17)3)21-15-6-4-5-7-15;/h8-11,15H,4-7,12H2,1-3H3,(H,20,23);1H/b21-19-;
InChIKeySWTXGDORXQBWHM-WQGAEACMSA-N
MW424.41 g/mol
LogP4.31
Rot. Bonds4

About 2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide

2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide (PubChem CID 46861986) has the molecular formula C19H26BrN3OS and a molecular weight of 424.41 g/mol. Its IUPAC name is 2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide.

Molecular Properties

Compound Name2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide
PubChem CID46861986
Molecular FormulaC19H26BrN3OS
Molecular Weight424.41 g/mol
Exact Mass423.10
IUPAC Name2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide
SMILESBr.Cc1ccc(NC(=O)Cc2c(C)s/c(=N\C3CCCC3)n2C)cc1
InChIInChI=1S/C19H25N3OS.BrH/c1-13-8-10-16(11-9-13)20-18(23)12-17-14(2)24-19(22(17)3)21-15-6-4-5-7-15;/h8-11,15H,4-7,12H2,1-3H3,(H,20,23);1H/b21-19-;
InChIKeySWTXGDORXQBWHM-WQGAEACMSA-N
XLogP4.31
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348533
2-(2-cyclohexylimino-5-methyl-1,3-thiazolidin-3-yl)-N-(4-methylphenyl)acetamide
CID 2998159
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 25119955
2-(2-cycloheptylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 3524942
2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348562
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796
ethyl 2-(2-cycloheptylimino-3-cyclopropyl-5-methyl-1,3-thiazol-4-yl)acetate
CID 46863274
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 73144060
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methylphenyl)acetamide
CID 2666301
2-[(2-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)acetamide
CID 64911376

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide?
The IUPAC name of 2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide (CID 46861986) is 2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide.
What is the SMILES notation for 2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide?
The canonical SMILES for 2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide is Br.Cc1ccc(NC(=O)Cc2c(C)s/c(=N\C3CCCC3)n2C)cc1.
What is the InChIKey of 2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide?
The InChIKey is SWTXGDORXQBWHM-WQGAEACMSA-N. The full InChI is InChI=1S/C19H25N3OS.BrH/c1-13-8-10-16(11-9-13)20-18(23)12-17-14(2)24-19(22(17)3)21-15-6-4-5-7-15;/h8-11,15H,4-7,12H2,1-3H3,(H,20,23);1H/b21-19-;.
What are the key properties of 2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide?
2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide has a molecular weight of 424.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylimino-3,5-dimethyl-1,3-thiazol-4-yl)-N-(4-methylphenyl)acetamide;hydrobromide is sourced from PubChem (CID 46861986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).