[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol

C11H14N2OS2 — CID 79494341

IUPAC[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(CCc1cccs1)c1ncc(CO)s1
InChIInChI=1S/C11H14N2OS2/c1-13(5-4-9-3-2-6-15-9)11-12-7-10(8-14)16-11/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyIBJOWZOQBMLMNY-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.38
Rot. Bonds5

About [2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol

[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 79494341) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is [2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID79494341
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(CCc1cccs1)c1ncc(CO)s1
InChIInChI=1S/C11H14N2OS2/c1-13(5-4-9-3-2-6-15-9)11-12-7-10(8-14)16-11/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyIBJOWZOQBMLMNY-UHFFFAOYSA-N
XLogP2.38
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-[1-(propylamino)ethyl]-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79493798
[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-4-yl]methanol
CID 106768318
N,4-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79494589
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79486566
[1-[methyl(2-thiophen-2-ylethyl)amino]isoquinolin-3-yl]methanol
CID 79489158
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid
CID 113321661
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide
CID 113320985
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114090453

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol (CID 79494341) is [2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol is CN(CCc1cccs1)c1ncc(CO)s1.
What is the InChIKey of [2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is IBJOWZOQBMLMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-13(5-4-9-3-2-6-15-9)11-12-7-10(8-14)16-11/h2-3,6-7,14H,4-5,8H2,1H3.
What are the key properties of [2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol?
[2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 254.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(2-thiophen-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79494341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).