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

C14H18N4O2S — CID 80619227

IUPACN-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)Nc2cccc(OCC)c2)s1
InChIInChI=1S/C14H18N4O2S/c1-3-8-15-14-18-17-13(21-14)12(19)16-10-6-5-7-11(9-10)20-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyKTVGOOVYNPAUDZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.01
Rot. Bonds7

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

N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619227) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619227
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)Nc2cccc(OCC)c2)s1
InChIInChI=1S/C14H18N4O2S/c1-3-8-15-14-18-17-13(21-14)12(19)16-10-6-5-7-11(9-10)20-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyKTVGOOVYNPAUDZ-UHFFFAOYSA-N
XLogP3.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615091
N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616293
3-ethoxy-N-propylaniline
CID 54800867
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
4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 116664072
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625856
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 61061483
6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 66463087
N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619618
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80619227) is N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)Nc2cccc(OCC)c2)s1.
What is the InChIKey of N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KTVGOOVYNPAUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-8-15-14-18-17-13(21-14)12(19)16-10-6-5-7-11(9-10)20-4-2/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).