2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine

C10H19N3S — CID 106251724

IUPAC2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCCC(CC)(CN)CNc1nccs1
InChIInChI=1S/C10H19N3S/c1-3-10(4-2,7-11)8-13-9-12-5-6-14-9/h5-6H,3-4,7-8,11H2,1-2H3,(H,12,13)
InChIKeyWTXMRBCMQLYTPL-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.32
Rot. Bonds6

About 2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine

2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine (PubChem CID 106251724) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
PubChem CID106251724
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCCC(CC)(CN)CNc1nccs1
InChIInChI=1S/C10H19N3S/c1-3-10(4-2,7-11)8-13-9-12-5-6-14-9/h5-6H,3-4,7-8,11H2,1-2H3,(H,12,13)
InChIKeyWTXMRBCMQLYTPL-UHFFFAOYSA-N
XLogP2.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethyl-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 106251859
N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine
CID 106329523
2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 106251431
N-(4,4-dimethylhexyl)-1,3-thiazol-2-amine
CID 170098031
2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol
CID 106172156
N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide
CID 106278316
2,2-diethyl-N'-(1-ethylimidazol-2-yl)propane-1,3-diamine
CID 106251952
3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine
CID 106287080
1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82508901
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
2-ethyl-2-(1,3-thiazol-2-ylamino)propane-1,3-diol
CID 107866128

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine (CID 106251724) is 2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine is CCC(CC)(CN)CNc1nccs1.
What is the InChIKey of 2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine?
The InChIKey is WTXMRBCMQLYTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-3-10(4-2,7-11)8-13-9-12-5-6-14-9/h5-6H,3-4,7-8,11H2,1-2H3,(H,12,13).
What are the key properties of 2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine?
2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine has a molecular weight of 213.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 106251724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).