3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol

C13H18N2OS2 — CID 84595105

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
SMILESCc1csc(CNC(C)CC(O)c2cccs2)n1
InChIInChI=1S/C13H18N2OS2/c1-9(6-11(16)12-4-3-5-17-12)14-7-13-15-10(2)8-18-13/h3-5,8-9,11,14,16H,6-7H2,1-2H3
InChIKeyNGCOQFFIYIUFAS-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.11
Rot. Bonds6

About 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol

3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol (PubChem CID 84595105) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
PubChem CID84595105
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol
SMILESCc1csc(CNC(C)CC(O)c2cccs2)n1
InChIInChI=1S/C13H18N2OS2/c1-9(6-11(16)12-4-3-5-17-12)14-7-13-15-10(2)8-18-13/h3-5,8-9,11,14,16H,6-7H2,1-2H3
InChIKeyNGCOQFFIYIUFAS-UHFFFAOYSA-N
XLogP3.11
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,3R)-3-[(5-methyl-2-pyridinyl)methylamino]-1-thiophen-2-ylbutan-1-ol
CID 97329293
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
CID 61044447
(1R,3S)-1-thiophen-2-yl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 97249768
1-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 107859632
3-(1H-indazol-7-ylmethylamino)-1-thiophen-2-ylbutan-1-ol
CID 86781542
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633786
4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 115697611
(1R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 81410306
1-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115660732
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethanamine
CID 62795850
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 78992704
4-[1-[(4-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenol
CID 54912829

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol (CID 84595105) is 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol is Cc1csc(CNC(C)CC(O)c2cccs2)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol?
The InChIKey is NGCOQFFIYIUFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-9(6-11(16)12-4-3-5-17-12)14-7-13-15-10(2)8-18-13/h3-5,8-9,11,14,16H,6-7H2,1-2H3.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol?
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol has a molecular weight of 282.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 84595105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).