N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine

C14H26N4S — CID 65270547

IUPACN'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine
SMILESCC(C)(C)c1nsc(N(CCCN)C2CCCC2)n1
InChIInChI=1S/C14H26N4S/c1-14(2,3)12-16-13(19-17-12)18(10-6-9-15)11-7-4-5-8-11/h11H,4-10,15H2,1-3H3
InChIKeyYDBSFTJTIDDNRT-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.93
Rot. Bonds5

About N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine

N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine (PubChem CID 65270547) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine
PubChem CID65270547
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine
SMILESCC(C)(C)c1nsc(N(CCCN)C2CCCC2)n1
InChIInChI=1S/C14H26N4S/c1-14(2,3)12-16-13(19-17-12)18(10-6-9-15)11-7-4-5-8-11/h11H,4-10,15H2,1-3H3
InChIKeyYDBSFTJTIDDNRT-UHFFFAOYSA-N
XLogP2.93
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine?
The IUPAC name of N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine (CID 65270547) is N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine?
The canonical SMILES for N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine is CC(C)(C)c1nsc(N(CCCN)C2CCCC2)n1.
What is the InChIKey of N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine?
The InChIKey is YDBSFTJTIDDNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-14(2,3)12-16-13(19-17-12)18(10-6-9-15)11-7-4-5-8-11/h11H,4-10,15H2,1-3H3.
What are the key properties of N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine?
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine has a molecular weight of 282.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine is sourced from PubChem (CID 65270547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).