5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol

C12H21NOS — CID 79818088

IUPAC5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol
SMILESCC(O)CCCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H21NOS/c1-9(14)6-5-7-11-13-10(8-15-11)12(2,3)4/h8-9,14H,5-7H2,1-4H3
InChIKeyIPBYTEXEDNTBMD-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.14
Rot. Bonds4

About 5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol

5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol (PubChem CID 79818088) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol
PubChem CID79818088
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol
SMILESCC(O)CCCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H21NOS/c1-9(14)6-5-7-11-13-10(8-15-11)12(2,3)4/h8-9,14H,5-7H2,1-4H3
InChIKeyIPBYTEXEDNTBMD-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-methylhexyl)-4-tert-butyl-1,3-thiazole
CID 79818100
4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol
CID 79817868
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide
CID 120503773
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)-2-hydroxypropanoic acid
CID 79819859
6-bromo-1-(4-tert-butyl-1,3-thiazol-2-yl)hexan-3-one
CID 106798825
5-(1,3-thiazol-2-yl)pentan-2-ol
CID 79824086
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105115668
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
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)methyl]propanedioic acid
CID 116868102

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol?
The IUPAC name of 5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol (CID 79818088) is 5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol.
What is the SMILES notation for 5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol?
The canonical SMILES for 5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol is CC(O)CCCc1nc(C(C)(C)C)cs1.
What is the InChIKey of 5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol?
The InChIKey is IPBYTEXEDNTBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-9(14)6-5-7-11-13-10(8-15-11)12(2,3)4/h8-9,14H,5-7H2,1-4H3.
What are the key properties of 5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol?
5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol has a molecular weight of 227.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol is sourced from PubChem (CID 79818088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).