4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol

C13H18N2O2S — CID 111488713

IUPAC4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol
SMILESCC(O)CCN(C)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C13H18N2O2S/c1-10(16)5-6-15(2)8-11-9-18-13(14-11)12-4-3-7-17-12/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyXAAYLBDJXNLHKN-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.61
Rot. Bonds6

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

4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol (PubChem CID 111488713) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol
PubChem CID111488713
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol
SMILESCC(O)CCN(C)Cc1csc(-c2ccco2)n1
InChIInChI=1S/C13H18N2O2S/c1-10(16)5-6-15(2)8-11-9-18-13(14-11)12-4-3-7-17-12/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChIKeyXAAYLBDJXNLHKN-UHFFFAOYSA-N
XLogP2.61
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-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

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 86917359
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-propylpropan-1-amine
CID 86989378
1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine
CID 134033862
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 134033866
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573534
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid
CID 79009387
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol
CID 111123359
1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol
CID 78964237
2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 102676857
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfonyl]-N,N-di(propan-2-yl)acetamide
CID 86926139
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol?
The IUPAC name of 4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol (CID 111488713) is 4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol?
The canonical SMILES for 4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol is CC(O)CCN(C)Cc1csc(-c2ccco2)n1.
What is the InChIKey of 4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol?
The InChIKey is XAAYLBDJXNLHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-10(16)5-6-15(2)8-11-9-18-13(14-11)12-4-3-7-17-12/h3-4,7,9-10,16H,5-6,8H2,1-2H3.
What are the key properties of 4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol?
4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol has a molecular weight of 266.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol is sourced from PubChem (CID 111488713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).