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

C12H23N3S — CID 79824612

IUPAC3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
SMILESCCC(CC)(C(N)Cc1nccs1)N(C)C
InChIInChI=1S/C12H23N3S/c1-5-12(6-2,15(3)4)10(13)9-11-14-7-8-16-11/h7-8,10H,5-6,9,13H2,1-4H3
InChIKeyYZGXORJGJDCSKG-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.13
Rot. Bonds6

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

3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine (PubChem CID 79824612) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine.

Molecular Properties

Compound Name3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
PubChem CID79824612
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
SMILESCCC(CC)(C(N)Cc1nccs1)N(C)C
InChIInChI=1S/C12H23N3S/c1-5-12(6-2,15(3)4)10(13)9-11-14-7-8-16-11/h7-8,10H,5-6,9,13H2,1-4H3
InChIKeyYZGXORJGJDCSKG-UHFFFAOYSA-N
XLogP2.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.13
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
3-methoxy-3-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 116757294
3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine
CID 79062650
3-methyl-3-phenyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79824374
3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105015255
2-N,3-N,3-N,3-tetraethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
CID 79825166
3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 79824283
3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 79823502
[3,3-dimethyl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105324712
1-(1-benzothiophen-3-yl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79062515
N,N-diethyl-2-hydrazinyl-3-methyl-1-(1,3-thiazol-2-yl)pentan-3-amine
CID 105240949
[3-ethoxy-3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105275180

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine?
The IUPAC name of 3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine (CID 79824612) is 3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine.
What is the SMILES notation for 3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine?
The canonical SMILES for 3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine is CCC(CC)(C(N)Cc1nccs1)N(C)C.
What is the InChIKey of 3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine?
The InChIKey is YZGXORJGJDCSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-12(6-2,15(3)4)10(13)9-11-14-7-8-16-11/h7-8,10H,5-6,9,13H2,1-4H3.
What are the key properties of 3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine?
3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-N,3-N-dimethyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine is sourced from PubChem (CID 79824612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).