5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide

C15H11BrN2O2S — CID 983644

IUPAC5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)cs1
InChIInChI=1S/C15H11BrN2O2S/c1-9-17-12(8-21-9)10-2-4-11(5-3-10)18-15(19)13-6-7-14(16)20-13/h2-8H,1H3,(H,18,19)
InChIKeyQKLDLURNVHPAKF-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.73
Rot. Bonds3

About 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide

5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide (PubChem CID 983644) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
PubChem CID983644
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC Name5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)cs1
InChIInChI=1S/C15H11BrN2O2S/c1-9-17-12(8-21-9)10-2-4-11(5-3-10)18-15(19)13-6-7-14(16)20-13/h2-8H,1H3,(H,18,19)
InChIKeyQKLDLURNVHPAKF-UHFFFAOYSA-N
XLogP4.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 795005
5-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2101616
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 2811044
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 6468644
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 7119107
N-{2-[2-(3-Fluorophenyl)-1,3-thiazol-4-YL]ethyl}furan-2-carboxamide
CID 7518526
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 8893265
3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 123759102
2-[4-(2-Furoyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5p)
CID 73443011
5-bromo-N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 783442
N-[4-(1,3-benzothiazol-2-yl)benzyl]-5-bromo-2-furamide
CID 1254658
N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide
CID 2215189

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide (CID 983644) is 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide is Cc1nc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)cs1.
What is the InChIKey of 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
The InChIKey is QKLDLURNVHPAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c1-9-17-12(8-21-9)10-2-4-11(5-3-10)18-15(19)13-6-7-14(16)20-13/h2-8H,1H3,(H,18,19).
What are the key properties of 5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide has a molecular weight of 363.24 g/mol, XLogP of 4.73, 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-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 983644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).