5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C18H17BrN2OS2 — CID 4609564

IUPAC5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(Br)s3)n2)cc1
InChIInChI=1S/C18H17BrN2OS2/c1-18(2,3)12-6-4-11(5-7-12)13-10-23-17(20-13)21-16(22)14-8-9-15(19)24-14/h4-10H,1-3H3,(H,20,21,22)
InChIKeyHTTZZWSUKKHUEW-UHFFFAOYSA-N
MW421.39 g/mol
LogP6.18
Rot. Bonds3

About 5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 4609564) has the molecular formula C18H17BrN2OS2 and a molecular weight of 421.39 g/mol. Its IUPAC name is 5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID4609564
Molecular FormulaC18H17BrN2OS2
Molecular Weight421.39 g/mol
Exact Mass420.00
IUPAC Name5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(Br)s3)n2)cc1
InChIInChI=1S/C18H17BrN2OS2/c1-18(2,3)12-6-4-11(5-7-12)13-10-23-17(20-13)21-16(22)14-8-9-15(19)24-14/h4-10H,1-3H3,(H,20,21,22)
InChIKeyHTTZZWSUKKHUEW-UHFFFAOYSA-N
XLogP6.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.39
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 4295617
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-bromothiophene-2-carboxamide
CID 5080929
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
5-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2354167
5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 26207781
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea
CID 17217819
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 51185945
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
CID 4098660

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 4609564) is 5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(Br)s3)n2)cc1.
What is the InChIKey of 5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is HTTZZWSUKKHUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2OS2/c1-18(2,3)12-6-4-11(5-7-12)13-10-23-17(20-13)21-16(22)14-8-9-15(19)24-14/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of 5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 421.39 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 4609564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).