1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol

C18H25NOS — CID 115979152

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(O)Cc1cncs1
InChIInChI=1S/C18H25NOS/c1-12-6-14(18(3,4)5)7-13(2)17(12)9-15(20)8-16-10-19-11-21-16/h6-7,10-11,15,20H,8-9H2,1-5H3
InChIKeyQMJZQNUJLDVKHT-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.20
Rot. Bonds4

About 1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol

1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol (PubChem CID 115979152) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
PubChem CID115979152
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(O)Cc1cncs1
InChIInChI=1S/C18H25NOS/c1-12-6-14(18(3,4)5)7-13(2)17(12)9-15(20)8-16-10-19-11-21-16/h6-7,10-11,15,20H,8-9H2,1-5H3
InChIKeyQMJZQNUJLDVKHT-UHFFFAOYSA-N
XLogP4.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol (CID 115979152) is 1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol is Cc1cc(C(C)(C)C)cc(C)c1CC(O)Cc1cncs1.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is QMJZQNUJLDVKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-12-6-14(18(3,4)5)7-13(2)17(12)9-15(20)8-16-10-19-11-21-16/h6-7,10-11,15,20H,8-9H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol?
1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 303.47 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 115979152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).