2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine

C13H25N3S — CID 64993003

IUPAC2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine
SMILESCC(C)CC(CNC(C)c1nccs1)N(C)C
InChIInChI=1S/C13H25N3S/c1-10(2)8-12(16(4)5)9-15-11(3)13-14-6-7-17-13/h6-7,10-12,15H,8-9H2,1-5H3
InChIKeyFILTZSFTGUDSIZ-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.77
Rot. Bonds7

About 2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine

2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine (PubChem CID 64993003) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine
PubChem CID64993003
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine
SMILESCC(C)CC(CNC(C)c1nccs1)N(C)C
InChIInChI=1S/C13H25N3S/c1-10(2)8-12(16(4)5)9-15-11(3)13-14-6-7-17-13/h6-7,10-12,15H,8-9H2,1-5H3
InChIKeyFILTZSFTGUDSIZ-UHFFFAOYSA-N
XLogP2.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[1-(1,3-thiazol-2-yl)ethylamino]butan-2-ol
CID 115888511
3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
CID 66174830
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 107353919
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
2-hydroxy-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 106171868
2-amino-3-[1-(1,3-thiazol-2-yl)ethylamino]propanamide
CID 103253585
(1R)-N,N-dimethyl-1-(1,3-thiazol-2-yl)ethanamine
CID 86335348
1-(4-methylphenyl)-N'-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 114172177
1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43099857
(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol
CID 107705372

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine?
The IUPAC name of 2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine (CID 64993003) is 2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine?
The canonical SMILES for 2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine is CC(C)CC(CNC(C)c1nccs1)N(C)C.
What is the InChIKey of 2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine?
The InChIKey is FILTZSFTGUDSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-10(2)8-12(16(4)5)9-15-11(3)13-14-6-7-17-13/h6-7,10-12,15H,8-9H2,1-5H3.
What are the key properties of 2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine?
2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine has a molecular weight of 255.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-trimethyl-1-N-[1-(1,3-thiazol-2-yl)ethyl]pentane-1,2-diamine is sourced from PubChem (CID 64993003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).