5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

C19H18N4O3S — CID 46354505

IUPAC5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccccc1NC(=O)CCc1nnc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C19H18N4O3S/c1-26-15-10-6-5-9-14(15)21-16(24)11-12-17-22-23-19(27-17)18(25)20-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,25)(H,21,24)
InChIKeyVLAYSMHMFCUKGN-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.37
Rot. Bonds7

About 5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46354505) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID46354505
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCOc1ccccc1NC(=O)CCc1nnc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C19H18N4O3S/c1-26-15-10-6-5-9-14(15)21-16(24)11-12-17-22-23-19(27-17)18(25)20-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,25)(H,21,24)
InChIKeyVLAYSMHMFCUKGN-UHFFFAOYSA-N
XLogP3.37
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-5-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]-1,3,4-thiadiazole-2-carboxamide
CID 46354581
5-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50801424
N-(4-methoxyphenyl)-5-[3-oxo-3-(2-phenylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 46354578
5-[3-(2,4-difluoroanilino)-3-oxopropyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46354363
5-[[(2,4-dimethoxyphenyl)carbamoylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 53100165
5-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46354456
5-[3-(4-ethylanilino)-3-oxopropyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 22579287
5-[3-(4-acetylanilino)-3-oxopropyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50801422
5-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 75397280
5-[3-(5-chloro-2-methylanilino)-3-oxopropyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46354393
5-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46354488
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 46354505) is 5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is COc1ccccc1NC(=O)CCc1nnc(C(=O)Nc2ccccc2)s1.
What is the InChIKey of 5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is VLAYSMHMFCUKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-26-15-10-6-5-9-14(15)21-16(24)11-12-17-22-23-19(27-17)18(25)20-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46354505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).