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

C15H30N4S — CID 102997970

IUPACN'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine
SMILESCCCNC(C)c1csc(N(CC)CCCN(C)C)n1
InChIInChI=1S/C15H30N4S/c1-6-9-16-13(3)14-12-20-15(17-14)19(7-2)11-8-10-18(4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyCNAYXKNAXGUPIY-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.98
Rot. Bonds10

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

N'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine (PubChem CID 102997970) has the molecular formula C15H30N4S and a molecular weight of 298.50 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine
PubChem CID102997970
Molecular FormulaC15H30N4S
Molecular Weight298.50 g/mol
Exact Mass298.22
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine
SMILESCCCNC(C)c1csc(N(CC)CCCN(C)C)n1
InChIInChI=1S/C15H30N4S/c1-6-9-16-13(3)14-12-20-15(17-14)19(7-2)11-8-10-18(4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyCNAYXKNAXGUPIY-UHFFFAOYSA-N
XLogP2.98
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine (CID 102997970) is N'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine is CCCNC(C)c1csc(N(CC)CCCN(C)C)n1.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine?
The InChIKey is CNAYXKNAXGUPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S/c1-6-9-16-13(3)14-12-20-15(17-14)19(7-2)11-8-10-18(4)5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine?
N'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine has a molecular weight of 298.50 g/mol, XLogP of 2.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine is sourced from PubChem (CID 102997970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).