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

C14H25NO2S — CID 105115643

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol
SMILESCCCOCCC(O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H25NO2S/c1-5-7-17-8-6-11(16)9-13-15-12(10-18-13)14(2,3)4/h10-11,16H,5-9H2,1-4H3
InChIKeyKCVPCFQYVXJZEJ-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.16
Rot. Bonds7

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

1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol (PubChem CID 105115643) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol
PubChem CID105115643
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol
SMILESCCCOCCC(O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C14H25NO2S/c1-5-7-17-8-6-11(16)9-13-15-12(10-18-13)14(2,3)4/h10-11,16H,5-9H2,1-4H3
InChIKeyKCVPCFQYVXJZEJ-UHFFFAOYSA-N
XLogP3.16
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216992
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propoxypropan-2-one
CID 79819641
[1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105325005
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79819728
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol
CID 116752722
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-1-methoxybutan-2-ol
CID 114163592
3-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxypropanoic acid
CID 79819859
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydroxyhexan-2-one
CID 103453966
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylsulfanylpropan-2-ol
CID 79820349

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol (CID 105115643) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol is CCCOCCC(O)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol?
The InChIKey is KCVPCFQYVXJZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-5-7-17-8-6-11(16)9-13-15-12(10-18-13)14(2,3)4/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol?
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol has a molecular weight of 271.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-propoxybutan-2-ol is sourced from PubChem (CID 105115643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).