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

C12H16N2O2S — CID 110884307

IUPAC2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1csc(-c2ccco2)n1
InChIInChI=1S/C12H16N2O2S/c1-2-9(7-15)13-6-10-8-17-12(14-10)11-4-3-5-16-11/h3-5,8-9,13,15H,2,6-7H2,1H3
InChIKeyBGXDAAHUVBDZSS-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.26
Rot. Bonds6

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

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol (PubChem CID 110884307) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
PubChem CID110884307
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
SMILESCCC(CO)NCc1csc(-c2ccco2)n1
InChIInChI=1S/C12H16N2O2S/c1-2-9(7-15)13-6-10-8-17-12(14-10)11-4-3-5-16-11/h3-5,8-9,13,15H,2,6-7H2,1H3
InChIKeyBGXDAAHUVBDZSS-UHFFFAOYSA-N
XLogP2.26
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol
CID 111449190
2-(furan-2-ylmethylamino)butan-1-ol
CID 4722612
(2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid
CID 99779339
1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 115593190
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol
CID 111489708
(2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 103924364
1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 86864116
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid
CID 43619497
tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate
CID 166392197
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 80748324
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-propylpropan-1-amine
CID 86989378

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol?
The IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol (CID 110884307) is 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol.
What is the SMILES notation for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol?
The canonical SMILES for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol is CCC(CO)NCc1csc(-c2ccco2)n1.
What is the InChIKey of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol?
The InChIKey is BGXDAAHUVBDZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-9(7-15)13-6-10-8-17-12(14-10)11-4-3-5-16-11/h3-5,8-9,13,15H,2,6-7H2,1H3.
What are the key properties of 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol?
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol has a molecular weight of 252.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol is sourced from PubChem (CID 110884307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).