5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide

C19H18N4O4S — CID 1493672

IUPAC5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nn(-c2ccc(OC)cc2)s/c1=N\C(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H18N4O4S/c1-20-18(25)16-19(21-17(24)12-4-8-14(26-2)9-5-12)28-23(22-16)13-6-10-15(27-3)11-7-13/h4-11H,1-3H3,(H,20,25)/b21-19-
InChIKeyUKUMWDPMVUYKDQ-VZCXRCSSSA-N
MW398.44 g/mol
LogP2.05
Rot. Bonds5

About 5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide

5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide (PubChem CID 1493672) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide
PubChem CID1493672
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nn(-c2ccc(OC)cc2)s/c1=N\C(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H18N4O4S/c1-20-18(25)16-19(21-17(24)12-4-8-14(26-2)9-5-12)28-23(22-16)13-6-10-15(27-3)11-7-13/h4-11H,1-3H3,(H,20,25)/b21-19-
InChIKeyUKUMWDPMVUYKDQ-VZCXRCSSSA-N
XLogP2.05
TPSA94.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide?
The IUPAC name of 5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide (CID 1493672) is 5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide is CNC(=O)c1nn(-c2ccc(OC)cc2)s/c1=N\C(=O)c1ccc(OC)cc1.
What is the InChIKey of 5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide?
The InChIKey is UKUMWDPMVUYKDQ-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-20-18(25)16-19(21-17(24)12-4-8-14(26-2)9-5-12)28-23(22-16)13-6-10-15(27-3)11-7-13/h4-11H,1-3H3,(H,20,25)/b21-19-.
What are the key properties of 5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide?
5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide is sourced from PubChem (CID 1493672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).