N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide

C15H15BrN2OS — CID 86891318

IUPACN-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cnc(C2CC2)s1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2OS/c1-9(10-4-6-12(16)7-5-10)18-14(19)13-8-17-15(20-13)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,18,19)
InChIKeyJLBGRSDQFNZAHR-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.27
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide

N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide (PubChem CID 86891318) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
PubChem CID86891318
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC NameN-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cnc(C2CC2)s1)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2OS/c1-9(10-4-6-12(16)7-5-10)18-14(19)13-8-17-15(20-13)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,18,19)
InChIKeyJLBGRSDQFNZAHR-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164615283
2-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-5-carboxamide
CID 53553530
N-ethyl-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53557177
N-[3-(dimethylamino)propyl]-2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
CID 56823980
N-[3-(2-methylpyrrolidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164613186
N-benzyl-1,3-thiazole-5-carboxamide
CID 23633028
1-[(4-Bromophenyl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 72139472
(1S)-1-(4-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 97319640
N-cyclopentyl-2-(3-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 68375712
N-cyclopentyl-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 68375723
N-cyclopentyl-2-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 68375727
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110851260

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide (CID 86891318) is N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cnc(C2CC2)s1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide?
The InChIKey is JLBGRSDQFNZAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-9(10-4-6-12(16)7-5-10)18-14(19)13-8-17-15(20-13)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide?
N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide has a molecular weight of 351.27 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86891318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).