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

C12H17NOS — CID 79817823

IUPAC5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol
SMILESCC(C)(C)c1csc(CC#CCCO)n1
InChIInChI=1S/C12H17NOS/c1-12(2,3)10-9-15-11(13-10)7-5-4-6-8-14/h9,14H,6-8H2,1-3H3
InChIKeyCURSKXXNBLNUJD-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.37
Rot. Bonds2

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

5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol (PubChem CID 79817823) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol.

Molecular Properties

Compound Name5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol
PubChem CID79817823
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol
SMILESCC(C)(C)c1csc(CC#CCCO)n1
InChIInChI=1S/C12H17NOS/c1-12(2,3)10-9-15-11(13-10)7-5-4-6-8-14/h9,14H,6-8H2,1-3H3
InChIKeyCURSKXXNBLNUJD-UHFFFAOYSA-N
XLogP2.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine
CID 106225915
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
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)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999371
4-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutan-1-ol
CID 79817868
3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid
CID 79819859
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-5-hydroxypentan-2-one
CID 103344022
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 79817832
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylpentan-2-one
CID 79820417
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanol
CID 103844460
2-[1-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756582

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol?
The IUPAC name of 5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol (CID 79817823) is 5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol.
What is the SMILES notation for 5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol?
The canonical SMILES for 5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol is CC(C)(C)c1csc(CC#CCCO)n1.
What is the InChIKey of 5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol?
The InChIKey is CURSKXXNBLNUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-12(2,3)10-9-15-11(13-10)7-5-4-6-8-14/h9,14H,6-8H2,1-3H3.
What are the key properties of 5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol?
5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol has a molecular weight of 223.34 g/mol, XLogP of 2.37, 2 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)pent-3-yn-1-ol is sourced from PubChem (CID 79817823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).