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

C14H27N3S — CID 79661509

IUPAC2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CCc1scnc1C)CC(C)(C)CN
InChIInChI=1S/C14H27N3S/c1-5-7-17(10-14(3,4)9-15)8-6-13-12(2)16-11-18-13/h11H,5-10,15H2,1-4H3
InChIKeyMWQMKBXTJGITHF-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.69
Rot. Bonds8

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

2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine (PubChem CID 79661509) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine
PubChem CID79661509
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CCc1scnc1C)CC(C)(C)CN
InChIInChI=1S/C14H27N3S/c1-5-7-17(10-14(3,4)9-15)8-6-13-12(2)16-11-18-13/h11H,5-10,15H2,1-4H3
InChIKeyMWQMKBXTJGITHF-UHFFFAOYSA-N
XLogP2.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine (CID 79661509) is 2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine is CCCN(CCc1scnc1C)CC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine?
The InChIKey is MWQMKBXTJGITHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-5-7-17(10-14(3,4)9-15)8-6-13-12(2)16-11-18-13/h11H,5-10,15H2,1-4H3.
What are the key properties of 2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine?
2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine has a molecular weight of 269.46 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79661509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).