N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide

C16H13BrN2O2S — CID 36702476

IUPACN-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C16H13BrN2O2S/c1-19(9-11-4-6-12(17)7-5-11)16(20)13-10-22-15(18-13)14-3-2-8-21-14/h2-8,10H,9H2,1H3
InChIKeyURBJOAPAJBNYEZ-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.44
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide

N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 36702476) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID36702476
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC NameN-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C16H13BrN2O2S/c1-19(9-11-4-6-12(17)7-5-11)16(20)13-10-22-15(18-13)14-3-2-8-21-14/h2-8,10H,9H2,1H3
InChIKeyURBJOAPAJBNYEZ-UHFFFAOYSA-N
XLogP4.44
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 134058954
2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 107202197
2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 36751815
2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 61021145
2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17499300
N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 47022125
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 46546819
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 31836479
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 33347805
2-amino-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62787665
2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 65215285
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 99186712

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide (CID 36702476) is N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)c1csc(-c2ccco2)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is URBJOAPAJBNYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-19(9-11-4-6-12(17)7-5-11)16(20)13-10-22-15(18-13)14-3-2-8-21-14/h2-8,10H,9H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide?
N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 377.26 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36702476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).