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

C10H18N4S — CID 102874524

IUPACN'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCc1nsc(N(CCCN)C2CCC2)n1
InChIInChI=1S/C10H18N4S/c1-8-12-10(15-13-8)14(7-3-6-11)9-4-2-5-9/h9H,2-7,11H2,1H3
InChIKeyIGEJTUQDTLNVEB-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.55
Rot. Bonds5

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

N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 102874524) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID102874524
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCc1nsc(N(CCCN)C2CCC2)n1
InChIInChI=1S/C10H18N4S/c1-8-12-10(15-13-8)14(7-3-6-11)9-4-2-5-9/h9H,2-7,11H2,1H3
InChIKeyIGEJTUQDTLNVEB-UHFFFAOYSA-N
XLogP1.55
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 102874524) is N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is Cc1nsc(N(CCCN)C2CCC2)n1.
What is the InChIKey of N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is IGEJTUQDTLNVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8-12-10(15-13-8)14(7-3-6-11)9-4-2-5-9/h9H,2-7,11H2,1H3.
What are the key properties of N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 226.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 102874524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).