3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

C15H12N2O2S2 — CID 4527013

IUPAC3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1
InChIInChI=1S/C15H12N2O2S2/c1-19-11-5-2-4-10(8-11)14(18)17-15-16-12(9-21-15)13-6-3-7-20-13/h2-9H,1H3,(H,16,17,18)
InChIKeyMIHMGAATBIRYSL-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.13
Rot. Bonds4

About 3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 4527013) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID4527013
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC Name3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1
InChIInChI=1S/C15H12N2O2S2/c1-19-11-5-2-4-10(8-11)14(18)17-15-16-12(9-21-15)13-6-3-7-20-13/h2-9H,1H3,(H,16,17,18)
InChIKeyMIHMGAATBIRYSL-UHFFFAOYSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 7213251
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
6-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 51260316
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 4055299
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 19196276
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 60728209
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenoxybenzamide
CID 2334070
3-(cyclopropanecarbonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 51149967
4-methoxy-N-[3-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide
CID 18899663
3-methoxy-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
CID 7711035

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 4527013) is 3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nc(-c3cccs3)cs2)c1.
What is the InChIKey of 3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is MIHMGAATBIRYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c1-19-11-5-2-4-10(8-11)14(18)17-15-16-12(9-21-15)13-6-3-7-20-13/h2-9H,1H3,(H,16,17,18).
What are the key properties of 3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 316.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 4527013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).