[2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol

C11H17NOS2 — CID 82434676

IUPAC[2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
SMILESCC(C)c1nc(C2CCCO2)sc1CS
InChIInChI=1S/C11H17NOS2/c1-7(2)10-9(6-14)15-11(12-10)8-4-3-5-13-8/h7-8,14H,3-6H2,1-2H3
InChIKeyBDJWURYEFFPIQA-UHFFFAOYSA-N
MW243.40 g/mol
LogP3.55
Rot. Bonds3

About [2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol

[2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol (PubChem CID 82434676) has the molecular formula C11H17NOS2 and a molecular weight of 243.40 g/mol. Its IUPAC name is [2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol.

Molecular Properties

Compound Name[2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
PubChem CID82434676
Molecular FormulaC11H17NOS2
Molecular Weight243.40 g/mol
Exact Mass243.08
IUPAC Name[2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
SMILESCC(C)c1nc(C2CCCO2)sc1CS
InChIInChI=1S/C11H17NOS2/c1-7(2)10-9(6-14)15-11(12-10)8-4-3-5-13-8/h7-8,14H,3-6H2,1-2H3
InChIKeyBDJWURYEFFPIQA-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 65328159
N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82437005
2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 65331290
5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole
CID 82439049
2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364662
2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile
CID 82429602
N-[[2-(4-ethylcyclohexyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365494
N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82440933
[2-(cyclohexylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434438
2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 82429608
N-[[2-(4-ethylmorpholin-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365079
2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 79785896

Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
The IUPAC name of [2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol (CID 82434676) is [2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol.
What is the SMILES notation for [2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
The canonical SMILES for [2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol is CC(C)c1nc(C2CCCO2)sc1CS.
What is the InChIKey of [2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
The InChIKey is BDJWURYEFFPIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS2/c1-7(2)10-9(6-14)15-11(12-10)8-4-3-5-13-8/h7-8,14H,3-6H2,1-2H3.
What are the key properties of [2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
[2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol has a molecular weight of 243.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol is sourced from PubChem (CID 82434676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).