2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine

C13H25N3S — CID 62961188

IUPAC2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCCc1csc(NC(CC(C)C)CN(C)C)n1
InChIInChI=1S/C13H25N3S/c1-6-11-9-17-13(14-11)15-12(7-10(2)3)8-16(4)5/h9-10,12H,6-8H2,1-5H3,(H,14,15)
InChIKeyDWSUYEGTOPNUGS-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.09
Rot. Bonds7

About 2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 62961188) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID62961188
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCCc1csc(NC(CC(C)C)CN(C)C)n1
InChIInChI=1S/C13H25N3S/c1-6-11-9-17-13(14-11)15-12(7-10(2)3)8-16(4)5/h9-10,12H,6-8H2,1-5H3,(H,14,15)
InChIKeyDWSUYEGTOPNUGS-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine with MolForge

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Related Compounds

methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 80575239
methyl 3-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]propanoate
CID 107040131
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-4-methylpentanoic acid
CID 62962981
3-[(4-ethyl-1,3-thiazol-2-yl)amino]pentan-1-ol
CID 115691889
N-but-3-en-2-yl-4-ethyl-1,3-thiazol-2-amine
CID 115691974
N-(2-chloro-4-methylpentyl)-4-ethyl-1,3-thiazol-2-amine
CID 107156261
N-(1-chloro-3-methylbutan-2-yl)-4-ethyl-1,3-thiazol-2-amine
CID 79260231
2-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 105362544
2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine
CID 80704374
3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 62963347
4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile
CID 106595407
2-N-(4-ethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine
CID 55242376

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 62961188) is 2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is CCc1csc(NC(CC(C)C)CN(C)C)n1.
What is the InChIKey of 2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is DWSUYEGTOPNUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-6-11-9-17-13(14-11)15-12(7-10(2)3)8-16(4)5/h9-10,12H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 255.43 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethyl-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 62961188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).