[4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol

C8H11ClN2O2S — CID 130735722

IUPAC[4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(NC2CCOC2)nc1Cl
InChIInChI=1S/C8H11ClN2O2S/c9-7-6(3-12)14-8(11-7)10-5-1-2-13-4-5/h5,12H,1-4H2,(H,10,11)
InChIKeyLNNDGQDSZBUADW-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.49
Rot. Bonds3

About [4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol

[4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol (PubChem CID 130735722) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is [4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol
PubChem CID130735722
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name[4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(NC2CCOC2)nc1Cl
InChIInChI=1S/C8H11ClN2O2S/c9-7-6(3-12)14-8(11-7)10-5-1-2-13-4-5/h5,12H,1-4H2,(H,10,11)
InChIKeyLNNDGQDSZBUADW-UHFFFAOYSA-N
XLogP1.49
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-2-(1-cyclopropylethylamino)-1,3-thiazol-5-yl]methanol
CID 130735058
4-chloro-2-(oxan-3-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595558
5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 131065715
6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 80713313
[4-chloro-2-(2-fluoroethylamino)-1,3-thiazol-5-yl]methanol
CID 126989041
5-(oxolan-3-ylamino)-3H-1,3,4-thiadiazole-2-thione
CID 80713304
[4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol
CID 130679999
6-chloro-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713664
4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid
CID 117258667
N-[(3R)-oxolan-3-yl]hydroxylamine
CID 124574155
N-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 175803601
3-chloro-7-methyl-N-(oxolan-3-yl)pyrido[3,4-b]pyrazin-2-amine
CID 118310192

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol (CID 130735722) is [4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol is OCc1sc(NC2CCOC2)nc1Cl.
What is the InChIKey of [4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol?
The InChIKey is LNNDGQDSZBUADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c9-7-6(3-12)14-8(11-7)10-5-1-2-13-4-5/h5,12H,1-4H2,(H,10,11).
What are the key properties of [4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol has a molecular weight of 234.71 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(oxolan-3-ylamino)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 130735722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).