N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

C11H9BrN2O2S — CID 47438726

IUPACN-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESC=C(Br)CNC(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C11H9BrN2O2S/c1-7(12)5-13-10(15)8-6-17-11(14-8)9-3-2-4-16-9/h2-4,6H,1,5H2,(H,13,15)
InChIKeyZKXMVKQSVVNEOK-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.04
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 47438726) has the molecular formula C11H9BrN2O2S and a molecular weight of 313.18 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID47438726
Molecular FormulaC11H9BrN2O2S
Molecular Weight313.18 g/mol
Exact Mass311.96
IUPAC NameN-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESC=C(Br)CNC(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C11H9BrN2O2S/c1-7(12)5-13-10(15)8-6-17-11(14-8)9-3-2-4-16-9/h2-4,6H,1,5H2,(H,13,15)
InChIKeyZKXMVKQSVVNEOK-UHFFFAOYSA-N
XLogP3.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
(2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid
CID 114006424
4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 81064620
2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 65215285
N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453
methyl 4-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoate
CID 38021103
N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 47022125
2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623144
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 51089742
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36703482
2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111115525
2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623145

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (CID 47438726) is N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is C=C(Br)CNC(=O)c1csc(-c2ccco2)n1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZKXMVKQSVVNEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2S/c1-7(12)5-13-10(15)8-6-17-11(14-8)9-3-2-4-16-9/h2-4,6H,1,5H2,(H,13,15).
What are the key properties of N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 313.18 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47438726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).