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

C8H13NOS — CID 23560686

IUPAC(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
SMILESCc1nc(C(C)C)c(CO)s1
InChIInChI=1S/C8H13NOS/c1-5(2)8-7(4-10)11-6(3)9-8/h5,10H,4H2,1-3H3
InChIKeyMLKILANAJYQCEI-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.07
Rot. Bonds2

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

(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol (PubChem CID 23560686) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is (2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
PubChem CID23560686
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
SMILESCc1nc(C(C)C)c(CO)s1
InChIInChI=1S/C8H13NOS/c1-5(2)8-7(4-10)11-6(3)9-8/h5,10H,4H2,1-3H3
InChIKeyMLKILANAJYQCEI-UHFFFAOYSA-N
XLogP2.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol (CID 23560686) is (2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol is Cc1nc(C(C)C)c(CO)s1.
What is the InChIKey of (2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
The InChIKey is MLKILANAJYQCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-5(2)8-7(4-10)11-6(3)9-8/h5,10H,4H2,1-3H3.
What are the key properties of (2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol has a molecular weight of 171.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 23560686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).