2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine

C16H31N3S — CID 79825166

IUPAC2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
SMILESCCNC(Cc1nccs1)C(CC)(CC)N(CC)CC
InChIInChI=1S/C16H31N3S/c1-6-16(7-2,19(9-4)10-5)14(17-8-3)13-15-18-11-12-20-15/h11-12,14,17H,6-10,13H2,1-5H3
InChIKeyNUMVIBXHBLPREW-UHFFFAOYSA-N
MW297.51 g/mol
LogP3.56
Rot. Bonds10

About 2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine

2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine (PubChem CID 79825166) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is 2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
PubChem CID79825166
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC Name2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
SMILESCCNC(Cc1nccs1)C(CC)(CC)N(CC)CC
InChIInChI=1S/C16H31N3S/c1-6-16(7-2,19(9-4)10-5)14(17-8-3)13-15-18-11-12-20-15/h11-12,14,17H,6-10,13H2,1-5H3
InChIKeyNUMVIBXHBLPREW-UHFFFAOYSA-N
XLogP3.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
CID 79824834
N,N-diethyl-2-hydrazinyl-3-methyl-1-(1,3-thiazol-2-yl)pentan-3-amine
CID 105240949
[3,3-dimethyl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105324712
3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
CID 79824612
2-N-ethyl-1-N,1-N-dimethyl-3-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 79823508
[3-ethoxy-3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105275180
N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
CID 79823975
N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105015031
N-ethyl-3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116715655
N-(1,3-thiazol-2-ylmethyl)pentan-3-amine
CID 46784226
N-ethyl-1-propoxy-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79825138
N-ethyl-1-(4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824465

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine?
The IUPAC name of 2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine (CID 79825166) is 2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine.
What is the SMILES notation for 2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine?
The canonical SMILES for 2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine is CCNC(Cc1nccs1)C(CC)(CC)N(CC)CC.
What is the InChIKey of 2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine?
The InChIKey is NUMVIBXHBLPREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-6-16(7-2,19(9-4)10-5)14(17-8-3)13-15-18-11-12-20-15/h11-12,14,17H,6-10,13H2,1-5H3.
What are the key properties of 2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine?
2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine has a molecular weight of 297.51 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine is sourced from PubChem (CID 79825166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).