N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide

C19H17BrN2OS — CID 1313348

IUPACN-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)N(c1nc(-c2ccccc2)c(C)s1)c1ccccc1Br
InChIInChI=1S/C19H17BrN2OS/c1-3-17(23)22(16-12-8-7-11-15(16)20)19-21-18(13(2)24-19)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3
InChIKeyOFOOYSXWTWHOHB-UHFFFAOYSA-N
MW401.33 g/mol
LogP5.96
Rot. Bonds4

About N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide

N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 1313348) has the molecular formula C19H17BrN2OS and a molecular weight of 401.33 g/mol. Its IUPAC name is N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID1313348
Molecular FormulaC19H17BrN2OS
Molecular Weight401.33 g/mol
Exact Mass400.02
IUPAC NameN-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)N(c1nc(-c2ccccc2)c(C)s1)c1ccccc1Br
InChIInChI=1S/C19H17BrN2OS/c1-3-17(23)22(16-12-8-7-11-15(16)20)19-21-18(13(2)24-19)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3
InChIKeyOFOOYSXWTWHOHB-UHFFFAOYSA-N
XLogP5.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.33
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
CID 990836
N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2195037
N-(2,4-dichlorophenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 2194695
4-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-propanoylamino]benzoic acid
CID 1313486
N-(2-methylphenyl)-N-(4-phenyl-5-propyl-1,3-thiazol-2-yl)butanamide
CID 2194793
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-(3-methylphenyl)propanamide
CID 1303421
N-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 2194632
N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride
CID 45053016
methyl 4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-propylamino]methyl]benzoate
CID 67146155
N-(3,4-dichlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 2194677
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
CID 55645362

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide (CID 1313348) is N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide is CCC(=O)N(c1nc(-c2ccccc2)c(C)s1)c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is OFOOYSXWTWHOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2OS/c1-3-17(23)22(16-12-8-7-11-15(16)20)19-21-18(13(2)24-19)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3.
What are the key properties of N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 401.33 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 1313348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).