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

C13H25N3S — CID 55121164

IUPAC1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine
SMILESCCNC(C)CCNC(C)c1sc(C)nc1C
InChIInChI=1S/C13H25N3S/c1-6-14-9(2)7-8-15-10(3)13-11(4)16-12(5)17-13/h9-10,14-15H,6-8H2,1-5H3
InChIKeyANHYUFRPRKPQFL-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.80
Rot. Bonds7

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

1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine (PubChem CID 55121164) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine
PubChem CID55121164
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine
SMILESCCNC(C)CCNC(C)c1sc(C)nc1C
InChIInChI=1S/C13H25N3S/c1-6-14-9(2)7-8-15-10(3)13-11(4)16-12(5)17-13/h9-10,14-15H,6-8H2,1-5H3
InChIKeyANHYUFRPRKPQFL-UHFFFAOYSA-N
XLogP2.80
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol
CID 115729166
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine
CID 63492567
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 55241750
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol
CID 113261392
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 62141442
N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]acetamide
CID 63751578
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61193122
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 61193894
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,3-trimethylbutan-1-amine
CID 102613655
N-[2-(2-aminoethoxy)ethyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 79479475

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine?
The IUPAC name of 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine (CID 55121164) is 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine?
The canonical SMILES for 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine is CCNC(C)CCNC(C)c1sc(C)nc1C.
What is the InChIKey of 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine?
The InChIKey is ANHYUFRPRKPQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-6-14-9(2)7-8-15-10(3)13-11(4)16-12(5)17-13/h9-10,14-15H,6-8H2,1-5H3.
What are the key properties of 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine?
1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine has a molecular weight of 255.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine is sourced from PubChem (CID 55121164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).