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

C12H22N4S — CID 65209033

IUPACN'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine
SMILESCc1nnc(N(CCCN)C2CCCCC2)s1
InChIInChI=1S/C12H22N4S/c1-10-14-15-12(17-10)16(9-5-8-13)11-6-3-2-4-7-11/h11H,2-9,13H2,1H3
InChIKeyYVZGAEXRISGACQ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.33
Rot. Bonds5

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

N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine (PubChem CID 65209033) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine
PubChem CID65209033
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine
SMILESCc1nnc(N(CCCN)C2CCCCC2)s1
InChIInChI=1S/C12H22N4S/c1-10-14-15-12(17-10)16(9-5-8-13)11-6-3-2-4-7-11/h11H,2-9,13H2,1H3
InChIKeyYVZGAEXRISGACQ-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 102675228
N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 102874524
3-[cyclopropyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanimidamide
CID 65209210
N'-cyclohexyl-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270703
N'-cyclobutyl-N'-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 102874488
N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine
CID 60870636
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N'-cyclopentylpropane-1,3-diamine
CID 65270547
N'-cyclopropyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65268016
N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
CID 63152591
N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine
CID 54939100
N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 43137168
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-cyclohexylpropane-1,3-diamine
CID 79712452

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine (CID 65209033) is N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine is Cc1nnc(N(CCCN)C2CCCCC2)s1.
What is the InChIKey of N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine?
The InChIKey is YVZGAEXRISGACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-10-14-15-12(17-10)16(9-5-8-13)11-6-3-2-4-7-11/h11H,2-9,13H2,1H3.
What are the key properties of N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine?
N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine has a molecular weight of 254.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 65209033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).