(2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol

C7H10ClNOS — CID 12953373

IUPAC(2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol
SMILESCC(C)c1nc(Cl)sc1CO
InChIInChI=1S/C7H10ClNOS/c1-4(2)6-5(3-10)11-7(8)9-6/h4,10H,3H2,1-2H3
InChIKeySTUXOONJFFCWIP-UHFFFAOYSA-N
MW191.68 g/mol
LogP2.41
Rot. Bonds2

About (2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol

(2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol (PubChem CID 12953373) has the molecular formula C7H10ClNOS and a molecular weight of 191.68 g/mol. Its IUPAC name is (2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol
PubChem CID12953373
Molecular FormulaC7H10ClNOS
Molecular Weight191.68 g/mol
Exact Mass191.02
IUPAC Name(2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol
SMILESCC(C)c1nc(Cl)sc1CO
InChIInChI=1S/C7H10ClNOS/c1-4(2)6-5(3-10)11-7(8)9-6/h4,10H,3H2,1-2H3
InChIKeySTUXOONJFFCWIP-UHFFFAOYSA-N
XLogP2.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.68
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol (CID 12953373) is (2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol is CC(C)c1nc(Cl)sc1CO.
What is the InChIKey of (2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
The InChIKey is STUXOONJFFCWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNOS/c1-4(2)6-5(3-10)11-7(8)9-6/h4,10H,3H2,1-2H3.
What are the key properties of (2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
(2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol has a molecular weight of 191.68 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-propan-2-yl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 12953373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).