4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol

C10H15NOS2 — CID 130667468

IUPAC4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol
SMILESCC1(C)CCSCC1(O)c1ccsn1
InChIInChI=1S/C10H15NOS2/c1-9(2)4-6-13-7-10(9,12)8-3-5-14-11-8/h3,5,12H,4,6-7H2,1-2H3
InChIKeyRNPLFVBVVPSYME-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.49
Rot. Bonds1

About 4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol

4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol (PubChem CID 130667468) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol
PubChem CID130667468
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol
SMILESCC1(C)CCSCC1(O)c1ccsn1
InChIInChI=1S/C10H15NOS2/c1-9(2)4-6-13-7-10(9,12)8-3-5-14-11-8/h3,5,12H,4,6-7H2,1-2H3
InChIKeyRNPLFVBVVPSYME-UHFFFAOYSA-N
XLogP2.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Difluoro-1-(1,2-thiazol-3-yl)cyclohex-2-en-1-ol
CID 165492024
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
2,2,3,3-Tetramethyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 126985711
Thian-2-yl(1,2-thiazol-3-yl)methanol
CID 126985730
1-Cyclopropyl-2-(1,2-thiazol-3-yl)propan-2-ol
CID 126985747
3-(1,2-Thiazol-3-yl)thiolan-3-ol
CID 126985770
4-Methyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002594
2-Ethyl-1-(1,2-thiazol-3-yl)cyclohexan-1-ol
CID 127002598
1-Cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002599
1,1-Dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130604801
Dicyclopropyl(1,2-thiazol-3-yl)methanol
CID 130604879

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol?
The IUPAC name of 4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol (CID 130667468) is 4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol.
What is the SMILES notation for 4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol?
The canonical SMILES for 4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol is CC1(C)CCSCC1(O)c1ccsn1.
What is the InChIKey of 4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol?
The InChIKey is RNPLFVBVVPSYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c1-9(2)4-6-13-7-10(9,12)8-3-5-14-11-8/h3,5,12H,4,6-7H2,1-2H3.
What are the key properties of 4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol?
4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol has a molecular weight of 229.37 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol is sourced from PubChem (CID 130667468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).