2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

C16H13BrN2O3S2 — CID 52714960

IUPAC2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2csc(-c3cc(Br)cs3)n2)cc(OC)c1
InChIInChI=1S/C16H13BrN2O3S2/c1-21-11-4-10(5-12(6-11)22-2)18-15(20)13-8-24-16(19-13)14-3-9(17)7-23-14/h3-8H,1-2H3,(H,18,20)
InChIKeyBUNMGLRLQPEEME-UHFFFAOYSA-N
MW425.33 g/mol
LogP4.90
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide

2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 52714960) has the molecular formula C16H13BrN2O3S2 and a molecular weight of 425.33 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID52714960
Molecular FormulaC16H13BrN2O3S2
Molecular Weight425.33 g/mol
Exact Mass423.96
IUPAC Name2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2csc(-c3cc(Br)cs3)n2)cc(OC)c1
InChIInChI=1S/C16H13BrN2O3S2/c1-21-11-4-10(5-12(6-11)22-2)18-15(20)13-8-24-16(19-13)14-3-9(17)7-23-14/h3-8H,1-2H3,(H,18,20)
InChIKeyBUNMGLRLQPEEME-UHFFFAOYSA-N
XLogP4.90
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 51122885
ethyl N-[[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 47336082
2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 3808142
2-(4-bromothiophen-2-yl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 55940710
6-bromo-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 103874074
2-(4-bromothiophen-2-yl)-N-[4-(oxolane-2-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 60550009
2-(4-bromothiophen-2-yl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 55949014
2-(4-bromothiophen-2-yl)-N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 60549928
2-bromo-N-(3,4,5-trimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 117087526
2-(4-bromothiophen-2-yl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
CID 55959611
N-(3,5-dimethoxyphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550844
2-(4-bromothiophen-2-yl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 55946613

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 52714960) is 2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is COc1cc(NC(=O)c2csc(-c3cc(Br)cs3)n2)cc(OC)c1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BUNMGLRLQPEEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3S2/c1-21-11-4-10(5-12(6-11)22-2)18-15(20)13-8-24-16(19-13)14-3-9(17)7-23-14/h3-8H,1-2H3,(H,18,20).
What are the key properties of 2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide?
2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 425.33 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 52714960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).