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

C11H22N4S — CID 65270336

IUPACN'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1nc(C(C)C)ns1
InChIInChI=1S/C11H22N4S/c1-4-7-15(8-5-6-12)11-13-10(9(2)3)14-16-11/h9H,4-8,12H2,1-3H3
InChIKeyXQRKLHDNTRBGKX-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.23
Rot. Bonds7

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

N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine (PubChem CID 65270336) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine
PubChem CID65270336
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC NameN'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1nc(C(C)C)ns1
InChIInChI=1S/C11H22N4S/c1-4-7-15(8-5-6-12)11-13-10(9(2)3)14-16-11/h9H,4-8,12H2,1-3H3
InChIKeyXQRKLHDNTRBGKX-UHFFFAOYSA-N
XLogP2.23
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine (CID 65270336) is N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine is CCCN(CCCN)c1nc(C(C)C)ns1.
What is the InChIKey of N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is XQRKLHDNTRBGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-4-7-15(8-5-6-12)11-13-10(9(2)3)14-16-11/h9H,4-8,12H2,1-3H3.
What are the key properties of N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine?
N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 242.39 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 65270336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).