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

C13H16N4O2S — CID 80615091

IUPACN-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)Nc2cccc(OC)c2)s1
InChIInChI=1S/C13H16N4O2S/c1-3-7-14-13-17-16-12(20-13)11(18)15-9-5-4-6-10(8-9)19-2/h4-6,8H,3,7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyWIGPKVMZERZMRE-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.62
Rot. Bonds6

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

N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615091) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615091
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)Nc2cccc(OC)c2)s1
InChIInChI=1S/C13H16N4O2S/c1-3-7-14-13-17-16-12(20-13)11(18)15-9-5-4-6-10(8-9)19-2/h4-6,8H,3,7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyWIGPKVMZERZMRE-UHFFFAOYSA-N
XLogP2.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619227
N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616293
N-(3-methoxyphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166611
N-(2-bromophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615873
5-(methylamino)-N-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618388
N-(2-bromo-5-methoxyphenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624690
5-(ethylamino)-N-(4-methoxy-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616813
N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696202
2-N-(3-methoxyphenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077744
N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617567
N-(4-chloro-2-iodophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107631539
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615091) is N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)Nc2cccc(OC)c2)s1.
What is the InChIKey of N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WIGPKVMZERZMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-7-14-13-17-16-12(20-13)11(18)15-9-5-4-6-10(8-9)19-2/h4-6,8H,3,7H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).