(3-propan-2-yl-1,2-thiazol-5-yl)methanol

C7H11NOS — CID 18759003

IUPAC(3-propan-2-yl-1,2-thiazol-5-yl)methanol
SMILESCC(C)c1cc(CO)sn1
InChIInChI=1S/C7H11NOS/c1-5(2)7-3-6(4-9)10-8-7/h3,5,9H,4H2,1-2H3
InChIKeyIVXSWCGZUODVRI-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.76
Rot. Bonds2

About (3-propan-2-yl-1,2-thiazol-5-yl)methanol

(3-propan-2-yl-1,2-thiazol-5-yl)methanol (PubChem CID 18759003) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is (3-propan-2-yl-1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-propan-2-yl-1,2-thiazol-5-yl)methanol
PubChem CID18759003
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name(3-propan-2-yl-1,2-thiazol-5-yl)methanol
SMILESCC(C)c1cc(CO)sn1
InChIInChI=1S/C7H11NOS/c1-5(2)7-3-6(4-9)10-8-7/h3,5,9H,4H2,1-2H3
InChIKeyIVXSWCGZUODVRI-UHFFFAOYSA-N
XLogP1.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2-thiazol-5-yl)methanol?
The IUPAC name of (3-propan-2-yl-1,2-thiazol-5-yl)methanol (CID 18759003) is (3-propan-2-yl-1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (3-propan-2-yl-1,2-thiazol-5-yl)methanol?
The canonical SMILES for (3-propan-2-yl-1,2-thiazol-5-yl)methanol is CC(C)c1cc(CO)sn1.
What is the InChIKey of (3-propan-2-yl-1,2-thiazol-5-yl)methanol?
The InChIKey is IVXSWCGZUODVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5(2)7-3-6(4-9)10-8-7/h3,5,9H,4H2,1-2H3.
What are the key properties of (3-propan-2-yl-1,2-thiazol-5-yl)methanol?
(3-propan-2-yl-1,2-thiazol-5-yl)methanol has a molecular weight of 157.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 18759003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).