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

C11H21N3S — CID 65169679

IUPACN'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1nc(C)c(C)s1
InChIInChI=1S/C11H21N3S/c1-4-7-14(8-5-6-12)11-13-9(2)10(3)15-11/h4-8,12H2,1-3H3
InChIKeyJPOPDEGRFLHYMN-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.33
Rot. Bonds6

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

N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine (PubChem CID 65169679) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine
PubChem CID65169679
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1nc(C)c(C)s1
InChIInChI=1S/C11H21N3S/c1-4-7-14(8-5-6-12)11-13-9(2)10(3)15-11/h4-8,12H2,1-3H3
InChIKeyJPOPDEGRFLHYMN-UHFFFAOYSA-N
XLogP2.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine (CID 65169679) is N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine is CCCN(CCCN)c1nc(C)c(C)s1.
What is the InChIKey of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is JPOPDEGRFLHYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-7-14(8-5-6-12)11-13-9(2)10(3)15-11/h4-8,12H2,1-3H3.
What are the key properties of N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine?
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 227.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 65169679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).