4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol

C12H21NOS — CID 79817868

IUPAC4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol
SMILESCC(CO)CCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H21NOS/c1-9(7-14)5-6-11-13-10(8-15-11)12(2,3)4/h8-9,14H,5-7H2,1-4H3
InChIKeyKLUAFMQBOJAGRA-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.00
Rot. Bonds4

About 4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol

4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol (PubChem CID 79817868) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol
PubChem CID79817868
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol
SMILESCC(CO)CCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H21NOS/c1-9(7-14)5-6-11-13-10(8-15-11)12(2,3)4/h8-9,14H,5-7H2,1-4H3
InChIKeyKLUAFMQBOJAGRA-UHFFFAOYSA-N
XLogP3.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol
CID 79818088
2-(4-bromo-5-methylhexyl)-4-tert-butyl-1,3-thiazole
CID 79818100
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide
CID 120503773
5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79817319
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
3-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-2-methylsulfanylbutan-1-ol
CID 106160624
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-hydroxypentan-2-one
CID 103344022
1-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115401016
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol (CID 79817868) is 4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol is CC(CO)CCc1nc(C(C)(C)C)cs1.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol?
The InChIKey is KLUAFMQBOJAGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-9(7-14)5-6-11-13-10(8-15-11)12(2,3)4/h8-9,14H,5-7H2,1-4H3.
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol?
4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol has a molecular weight of 227.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 79817868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).