(3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol

C10H15NOS2 — CID 130735930

IUPAC(3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol
SMILESCc1cc(C(O)C2CCCCS2)sn1
InChIInChI=1S/C10H15NOS2/c1-7-6-9(14-11-7)10(12)8-4-2-3-5-13-8/h6,8,10,12H,2-5H2,1H3
InChIKeyBJUDMIYTKSSLEB-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.77
Rot. Bonds2

About (3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol

(3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol (PubChem CID 130735930) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol
PubChem CID130735930
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol
SMILESCc1cc(C(O)C2CCCCS2)sn1
InChIInChI=1S/C10H15NOS2/c1-7-6-9(14-11-7)10(12)8-4-2-3-5-13-8/h6,8,10,12H,2-5H2,1H3
InChIKeyBJUDMIYTKSSLEB-UHFFFAOYSA-N
XLogP2.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Ethyl-5-isothiazolemethanol
CID 89816508
(3-Methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanol
CID 126985704
Thian-2-yl(1,2-thiazol-3-yl)methanol
CID 126985730
3-(3-Methyl-1,2-thiazol-5-yl)thiolan-3-ol
CID 126985769
(1-Methylsulfanylcyclobutyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130604836
2-Methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 130604864
2-Methylsulfonyl-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130604877
1-(3-Methyl-1,2-thiazol-5-yl)butane-1,2-diol
CID 130621249
2-(Thian-4-yl)-1-(1,2-thiazol-3-yl)ethanol
CID 130637260
2-Methyl-1-(3-methyl-1,2-thiazol-5-yl)butan-1-ol
CID 130646530
(3-Methyl-1,2-thiazol-5-yl)-(thian-3-yl)methanol
CID 130653496
1,4-Dithian-2-yl(1,2-thiazol-3-yl)methanol
CID 130736494

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol (CID 130735930) is (3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol is Cc1cc(C(O)C2CCCCS2)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol?
The InChIKey is BJUDMIYTKSSLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c1-7-6-9(14-11-7)10(12)8-4-2-3-5-13-8/h6,8,10,12H,2-5H2,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol?
(3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol has a molecular weight of 229.37 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol is sourced from PubChem (CID 130735930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).