2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol

C13H17NO2S — CID 82435103

IUPAC2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)c1nc(-c2ccco2)sc1C(C)(C)O
InChIInChI=1S/C13H17NO2S/c1-8(2)10-11(13(3,4)15)17-12(14-10)9-6-5-7-16-9/h5-8,15H,1-4H3
InChIKeyKYBLQFJIPBZXNQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.75
Rot. Bonds3

About 2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol

2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82435103) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82435103
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)c1nc(-c2ccco2)sc1C(C)(C)O
InChIInChI=1S/C13H17NO2S/c1-8(2)10-11(13(3,4)15)17-12(14-10)9-6-5-7-16-9/h5-8,15H,1-4H3
InChIKeyKYBLQFJIPBZXNQ-UHFFFAOYSA-N
XLogP3.75
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(furan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82441357
2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
CID 82433890
4-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82435110
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-1-one
CID 170582471
[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol
CID 82439271
[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 82439289
5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole
CID 82130320
2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine
CID 143726695
4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide
CID 82439300
N-[[4-ethyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113459709
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol (CID 82435103) is 2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol is CC(C)c1nc(-c2ccco2)sc1C(C)(C)O.
What is the InChIKey of 2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is KYBLQFJIPBZXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-8(2)10-11(13(3,4)15)17-12(14-10)9-6-5-7-16-9/h5-8,15H,1-4H3.
What are the key properties of 2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol?
2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 251.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82435103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).