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

C12H22N4S — CID 65270802

IUPACN'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESNCCCN(c1ncns1)C1CCCCCC1
InChIInChI=1S/C12H22N4S/c13-8-5-9-16(12-14-10-15-17-12)11-6-3-1-2-4-7-11/h10-11H,1-9,13H2
InChIKeyUKABQYIXFLCQJO-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.42
Rot. Bonds5

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

N'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65270802) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65270802
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESNCCCN(c1ncns1)C1CCCCCC1
InChIInChI=1S/C12H22N4S/c13-8-5-9-16(12-14-10-15-17-12)11-6-3-1-2-4-7-11/h10-11H,1-9,13H2
InChIKeyUKABQYIXFLCQJO-UHFFFAOYSA-N
XLogP2.42
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65270802) is N'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is NCCCN(c1ncns1)C1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is UKABQYIXFLCQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c13-8-5-9-16(12-14-10-15-17-12)11-6-3-1-2-4-7-11/h10-11H,1-9,13H2.
What are the key properties of N'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 254.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65270802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).