N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C12H14N4O2S — CID 80615509

IUPACN-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(C)c2ccc(OC)cc2)s1
InChIInChI=1S/C12H14N4O2S/c1-13-12-15-14-10(19-12)11(17)16(2)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H,13,15)
InChIKeyRXOCFUDKXFYOPU-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.87
Rot. Bonds4

About N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615509) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615509
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(C)c2ccc(OC)cc2)s1
InChIInChI=1S/C12H14N4O2S/c1-13-12-15-14-10(19-12)11(17)16(2)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H,13,15)
InChIKeyRXOCFUDKXFYOPU-UHFFFAOYSA-N
XLogP1.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618566
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
N-(4-cyanophenyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616254
N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80623783
N-[(3-methoxyphenyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616034
N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide
CID 106937223
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617062
6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 66463737
N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617310
N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 62003471
2-(4-methoxy-N-methylanilino)prop-2-enamide
CID 175949684

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615509) is N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)N(C)c2ccc(OC)cc2)s1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RXOCFUDKXFYOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-13-12-15-14-10(19-12)11(17)16(2)8-4-6-9(18-3)7-5-8/h4-7H,1-3H3,(H,13,15).
What are the key properties of N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).