2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide

C18H15N3O3S — CID 16914960

IUPAC2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2csc(NC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C18H15N3O3S/c1-24-14-9-5-8-13(10-14)19-17(23)15-11-25-18(20-15)21-16(22)12-6-3-2-4-7-12/h2-11H,1H3,(H,19,23)(H,20,21,22)
InChIKeyFNIKTGPGWMKUMZ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.66
Rot. Bonds5

About 2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide

2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 16914960) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID16914960
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2csc(NC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C18H15N3O3S/c1-24-14-9-5-8-13(10-14)19-17(23)15-11-25-18(20-15)21-16(22)12-6-3-2-4-7-12/h2-11H,1H3,(H,19,23)(H,20,21,22)
InChIKeyFNIKTGPGWMKUMZ-UHFFFAOYSA-N
XLogP3.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 16914960) is 2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1cccc(NC(=O)c2csc(NC(=O)c3ccccc3)n2)c1.
What is the InChIKey of 2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FNIKTGPGWMKUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-24-14-9-5-8-13(10-14)19-17(23)15-11-25-18(20-15)21-16(22)12-6-3-2-4-7-12/h2-11H,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16914960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).