4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide

C11H11BrN2OS2 — CID 17174163

IUPAC4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2nccs2)cc1Br
InChIInChI=1S/C11H11BrN2OS2/c1-2-3-8-7(12)6-9(17-8)10(15)14-11-13-4-5-16-11/h4-6H,2-3H2,1H3,(H,13,14,15)
InChIKeyAMZMCSKQWFVTEP-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.17
Rot. Bonds4

About 4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide

4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 17174163) has the molecular formula C11H11BrN2OS2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID17174163
Molecular FormulaC11H11BrN2OS2
Molecular Weight331.26 g/mol
Exact Mass329.95
IUPAC Name4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCCc1sc(C(=O)Nc2nccs2)cc1Br
InChIInChI=1S/C11H11BrN2OS2/c1-2-3-8-7(12)6-9(17-8)10(15)14-11-13-4-5-16-11/h4-6H,2-3H2,1H3,(H,13,14,15)
InChIKeyAMZMCSKQWFVTEP-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 26087870
4-bromo-N-(2-methylbutan-2-yl)-5-propylthiophene-2-carboxamide
CID 17374379
5-bromo-2,3,4-trimethyl-N-(1,3-thiazol-2-yl)benzamide
CID 882261
3-bromo-5-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 4797157
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
5-ethyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 3354816
4-(dimethylsulfamoyl)-5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6502656
4-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503193
4-bromo-5-ethyl-N-(4-methylpyrimidin-2-yl)thiophene-2-carboxamide
CID 2970304
N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 130841000
3-bromo-4-(2-methoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 15943256
3,5-dimethyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 58458875

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 17174163) is 4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is CCCc1sc(C(=O)Nc2nccs2)cc1Br.
What is the InChIKey of 4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is AMZMCSKQWFVTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS2/c1-2-3-8-7(12)6-9(17-8)10(15)14-11-13-4-5-16-11/h4-6H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 331.26 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-propyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 17174163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).