N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C15H17BrN2OS — CID 39615200

IUPACN-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C)(C)c2ccc(Br)cc2)s1
InChIInChI=1S/C15H17BrN2OS/c1-9-13(20-10(2)17-9)14(19)18-15(3,4)11-5-7-12(16)8-6-11/h5-8H,1-4H3,(H,18,19)
InChIKeyRKSBBURYKBPKOW-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.19
Rot. Bonds3

About N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 39615200) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID39615200
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C)(C)c2ccc(Br)cc2)s1
InChIInChI=1S/C15H17BrN2OS/c1-9-13(20-10(2)17-9)14(19)18-15(3,4)11-5-7-12(16)8-6-11/h5-8H,1-4H3,(H,18,19)
InChIKeyRKSBBURYKBPKOW-UHFFFAOYSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 56522837
2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66377238
N-[(4-bromophenyl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 2337797
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
N-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 64555981
N'-(2-bromobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 47097645
N'-(4-chlorobenzoyl)-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 2744486
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110002203
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 113265800
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 39615200) is N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC(C)(C)c2ccc(Br)cc2)s1.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is RKSBBURYKBPKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-9-13(20-10(2)17-9)14(19)18-15(3,4)11-5-7-12(16)8-6-11/h5-8H,1-4H3,(H,18,19).
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 353.29 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39615200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).