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

C14H18N4O2S — CID 80618395

IUPACN-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)c2ccccc2OC)s1
InChIInChI=1S/C14H18N4O2S/c1-4-9-15-14-17-16-12(21-14)13(19)18(2)10-7-5-6-8-11(10)20-3/h5-8H,4,9H2,1-3H3,(H,15,17)
InChIKeyMDPZADYJQLRTSA-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.65
Rot. Bonds6

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

N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618395) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618395
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)c2ccccc2OC)s1
InChIInChI=1S/C14H18N4O2S/c1-4-9-15-14-17-16-12(21-14)13(19)18(2)10-7-5-6-8-11(10)20-3/h5-8H,4,9H2,1-3H3,(H,15,17)
InChIKeyMDPZADYJQLRTSA-UHFFFAOYSA-N
XLogP2.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80618395) is N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)N(C)c2ccccc2OC)s1.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is MDPZADYJQLRTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-4-9-15-14-17-16-12(21-14)13(19)18(2)10-7-5-6-8-11(10)20-3/h5-8H,4,9H2,1-3H3,(H,15,17).
What are the key properties of N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).