N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

C11H21ClN4S — CID 80606650

IUPACN'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1nnc(Cl)s1)CC(C)(C)CN
InChIInChI=1S/C11H21ClN4S/c1-4-5-16(8-11(2,3)7-13)6-9-14-15-10(12)17-9/h4-8,13H2,1-3H3
InChIKeyLUIQYHQPMNIXOC-UHFFFAOYSA-N
MW276.84 g/mol
LogP2.39
Rot. Bonds7

About N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 80606650) has the molecular formula C11H21ClN4S and a molecular weight of 276.84 g/mol. Its IUPAC name is N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID80606650
Molecular FormulaC11H21ClN4S
Molecular Weight276.84 g/mol
Exact Mass276.12
IUPAC NameN'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1nnc(Cl)s1)CC(C)(C)CN
InChIInChI=1S/C11H21ClN4S/c1-4-5-16(8-11(2,3)7-13)6-9-14-15-10(12)17-9/h4-8,13H2,1-3H3
InChIKeyLUIQYHQPMNIXOC-UHFFFAOYSA-N
XLogP2.39
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.84
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 80606650) is N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(Cc1nnc(Cl)s1)CC(C)(C)CN.
What is the InChIKey of N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is LUIQYHQPMNIXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN4S/c1-4-5-16(8-11(2,3)7-13)6-9-14-15-10(12)17-9/h4-8,13H2,1-3H3.
What are the key properties of N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 276.84 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 80606650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).