[2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol

C10H15NOS2 — CID 115088747

IUPAC[2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(CC2CCCCS2)n1
InChIInChI=1S/C10H15NOS2/c12-6-8-7-14-10(11-8)5-9-3-1-2-4-13-9/h7,9,12H,1-6H2
InChIKeyQKRXRIPZUJSDQJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.46
Rot. Bonds3

About [2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol

[2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol (PubChem CID 115088747) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is [2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol
PubChem CID115088747
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name[2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(CC2CCCCS2)n1
InChIInChI=1S/C10H15NOS2/c12-6-8-7-14-10(11-8)5-9-3-1-2-4-13-9/h7,9,12H,1-6H2
InChIKeyQKRXRIPZUJSDQJ-UHFFFAOYSA-N
XLogP2.46
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(thiolan-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115088642
2-[2-(thiolan-2-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088655
[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115088901
[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087903
[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]methanol
CID 115087908
[2-(thian-2-ylmethyl)-1,3-oxazol-4-yl]methanamine
CID 115083265
2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
CID 100742041
2-(thian-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-ol
CID 117155520
[5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine
CID 115094147
[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115088124
2-(thian-2-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115083332
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600570

Frequently Asked Questions

What is the IUPAC name of [2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol (CID 115088747) is [2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol is OCc1csc(CC2CCCCS2)n1.
What is the InChIKey of [2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is QKRXRIPZUJSDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c12-6-8-7-14-10(11-8)5-9-3-1-2-4-13-9/h7,9,12H,1-6H2.
What are the key properties of [2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol?
[2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol has a molecular weight of 229.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thian-2-ylmethyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 115088747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).