N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

C15H22N4OS — CID 65270852

IUPACN'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2nc(C(C)C)ns2)cc1
InChIInChI=1S/C15H22N4OS/c1-11(2)14-17-15(21-18-14)19(10-4-9-16)12-5-7-13(20-3)8-6-12/h5-8,11H,4,9-10,16H2,1-3H3
InChIKeyLBUWZLBJSNJBLW-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.16
Rot. Bonds7

About N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65270852) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65270852
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2nc(C(C)C)ns2)cc1
InChIInChI=1S/C15H22N4OS/c1-11(2)14-17-15(21-18-14)19(10-4-9-16)12-5-7-13(20-3)8-6-12/h5-8,11H,4,9-10,16H2,1-3H3
InChIKeyLBUWZLBJSNJBLW-UHFFFAOYSA-N
XLogP3.16
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65270852) is N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is COc1ccc(N(CCCN)c2nc(C(C)C)ns2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is LBUWZLBJSNJBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-11(2)14-17-15(21-18-14)19(10-4-9-16)12-5-7-13(20-3)8-6-12/h5-8,11H,4,9-10,16H2,1-3H3.
What are the key properties of N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 306.44 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65270852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).