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

C7H11NOS — CID 22134228

IUPAC(2-propyl-1,3-thiazol-5-yl)methanol
SMILESCCCc1ncc(CO)s1
InChIInChI=1S/C7H11NOS/c1-2-3-7-8-4-6(5-9)10-7/h4,9H,2-3,5H2,1H3
InChIKeyXNJMDXNZSIEYRE-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.59
Rot. Bonds3

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

(2-propyl-1,3-thiazol-5-yl)methanol (PubChem CID 22134228) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is (2-propyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-propyl-1,3-thiazol-5-yl)methanol
PubChem CID22134228
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name(2-propyl-1,3-thiazol-5-yl)methanol
SMILESCCCc1ncc(CO)s1
InChIInChI=1S/C7H11NOS/c1-2-3-7-8-4-6(5-9)10-7/h4,9H,2-3,5H2,1H3
InChIKeyXNJMDXNZSIEYRE-UHFFFAOYSA-N
XLogP1.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-propyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-propyl-1,3-thiazol-5-yl)methanol (CID 22134228) is (2-propyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-propyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-propyl-1,3-thiazol-5-yl)methanol is CCCc1ncc(CO)s1.
What is the InChIKey of (2-propyl-1,3-thiazol-5-yl)methanol?
The InChIKey is XNJMDXNZSIEYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-2-3-7-8-4-6(5-9)10-7/h4,9H,2-3,5H2,1H3.
What are the key properties of (2-propyl-1,3-thiazol-5-yl)methanol?
(2-propyl-1,3-thiazol-5-yl)methanol has a molecular weight of 157.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 22134228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).