2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

C14H21N3OS2 — CID 105115668

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H21N3OS2/c1-8(2)12-13(20-17-16-12)9(18)6-11-15-10(7-19-11)14(3,4)5/h7-9,18H,6H2,1-5H3
InChIKeyOAMCAPJEYZMLIV-UHFFFAOYSA-N
MW311.48 g/mol
LogP3.69
Rot. Bonds4

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (PubChem CID 105115668) has the molecular formula C14H21N3OS2 and a molecular weight of 311.48 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
PubChem CID105115668
Molecular FormulaC14H21N3OS2
Molecular Weight311.48 g/mol
Exact Mass311.11
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H21N3OS2/c1-8(2)12-13(20-17-16-12)9(18)6-11-15-10(7-19-11)14(3,4)5/h7-9,18H,6H2,1-5H3
InChIKeyOAMCAPJEYZMLIV-UHFFFAOYSA-N
XLogP3.69
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 105115581
1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 106695410
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol
CID 79820427
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanol
CID 79820653
5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol
CID 79818088
3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid
CID 79819859
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,5-dimethylthiophen-3-yl)ethanol
CID 79820476
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105087426
1-(2-amino-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79820270
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol
CID 79820321

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (CID 105115668) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is CC(C)c1nnsc1C(O)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The InChIKey is OAMCAPJEYZMLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS2/c1-8(2)12-13(20-17-16-12)9(18)6-11-15-10(7-19-11)14(3,4)5/h7-9,18H,6H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol has a molecular weight of 311.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105115668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).