2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol

C12H21NOS — CID 83139169

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol
SMILESCc1nc(CC(CO)C(C)(C)C)sc1C
InChIInChI=1S/C12H21NOS/c1-8-9(2)15-11(13-8)6-10(7-14)12(3,4)5/h10,14H,6-7H2,1-5H3
InChIKeyUJRYLZVNFOGSCP-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.96
Rot. Bonds3

About 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol

2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol (PubChem CID 83139169) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol
PubChem CID83139169
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol
SMILESCc1nc(CC(CO)C(C)(C)C)sc1C
InChIInChI=1S/C12H21NOS/c1-8-9(2)15-11(13-8)6-10(7-14)12(3,4)5/h10,14H,6-7H2,1-5H3
InChIKeyUJRYLZVNFOGSCP-UHFFFAOYSA-N
XLogP2.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol (CID 83139169) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol is Cc1nc(CC(CO)C(C)(C)C)sc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol?
The InChIKey is UJRYLZVNFOGSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-8-9(2)15-11(13-8)6-10(7-14)12(3,4)5/h10,14H,6-7H2,1-5H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol has a molecular weight of 227.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 83139169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).