(4,5-diethyl-1,3-thiazol-2-yl)methanamine

C8H14N2S — CID 105434611

IUPAC(4,5-diethyl-1,3-thiazol-2-yl)methanamine
SMILESCCc1nc(CN)sc1CC
InChIInChI=1S/C8H14N2S/c1-3-6-7(4-2)11-8(5-9)10-6/h3-5,9H2,1-2H3
InChIKeyZZCPFSHYGBNTFP-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.73
Rot. Bonds3

About (4,5-diethyl-1,3-thiazol-2-yl)methanamine

(4,5-diethyl-1,3-thiazol-2-yl)methanamine (PubChem CID 105434611) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is (4,5-diethyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4,5-diethyl-1,3-thiazol-2-yl)methanamine
PubChem CID105434611
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name(4,5-diethyl-1,3-thiazol-2-yl)methanamine
SMILESCCc1nc(CN)sc1CC
InChIInChI=1S/C8H14N2S/c1-3-6-7(4-2)11-8(5-9)10-6/h3-5,9H2,1-2H3
InChIKeyZZCPFSHYGBNTFP-UHFFFAOYSA-N
XLogP1.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-diethyl-1,3-thiazol-2-yl)ethanamine
CID 105441378
4,5-diethyl-2-propyl-1,3-thiazole
CID 150030476
[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82428463
[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine
CID 39373614
[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82428640
[4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine
CID 82429194
[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 83679321
[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054609
[2-[(2-chlorophenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82429066
5-(bromomethyl)-4-ethyl-2-(methoxymethyl)-1,3-thiazole
CID 82430363
N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine
CID 82430445
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206

Frequently Asked Questions

What is the IUPAC name of (4,5-diethyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4,5-diethyl-1,3-thiazol-2-yl)methanamine (CID 105434611) is (4,5-diethyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4,5-diethyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4,5-diethyl-1,3-thiazol-2-yl)methanamine is CCc1nc(CN)sc1CC.
What is the InChIKey of (4,5-diethyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is ZZCPFSHYGBNTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-6-7(4-2)11-8(5-9)10-6/h3-5,9H2,1-2H3.
What are the key properties of (4,5-diethyl-1,3-thiazol-2-yl)methanamine?
(4,5-diethyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 170.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diethyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 105434611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).