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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Related Compounds

5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide
CID 1493673
4-fluoro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
CID 4874355
4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
CID 17038448
4-methoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 814682
N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide
CID 12571173
(NE)-4-chloro-N-[2-(4-methoxyphenyl)-4-(piperidine-1-carbonyl)thiadiazol-5-ylidene]benzenesulfonamide
CID 22308288
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 5197134
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653
S-methyl N-[(4-methoxybenzoyl)carbamoyl]carbamothioate
CID 585400
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide
CID 126204701
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142

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).