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

C14H27N3S — CID 113278109

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC(C)c1nc(C)sc1C
InChIInChI=1S/C14H27N3S/c1-6-9-17(7-2)10-8-15-11(3)14-12(4)18-13(5)16-14/h11,15H,6-10H2,1-5H3
InChIKeyLKOHUFBMOAQNNW-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.14
Rot. Bonds8

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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine (PubChem CID 113278109) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
PubChem CID113278109
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC(C)c1nc(C)sc1C
InChIInChI=1S/C14H27N3S/c1-6-9-17(7-2)10-8-15-11(3)14-12(4)18-13(5)16-14/h11,15H,6-10H2,1-5H3
InChIKeyLKOHUFBMOAQNNW-UHFFFAOYSA-N
XLogP3.14
TPSA28.16 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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635360
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine
CID 63315017
N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60888751
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]hex-5-yn-1-amine
CID 115893761
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-propylacetamide
CID 43567206
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine
CID 79547946
1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205593
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 26722635
2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylacetamide
CID 43310810
methyl 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 43139664

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine (CID 113278109) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine is CCCN(CC)CCNC(C)c1nc(C)sc1C.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine?
The InChIKey is LKOHUFBMOAQNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-6-9-17(7-2)10-8-15-11(3)14-12(4)18-13(5)16-14/h11,15H,6-10H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine has a molecular weight of 269.46 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 113278109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).