4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine

C11H12N2O2S2 — CID 19364528

IUPAC4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine
SMILESOSC1CN(c2nc3ccccc3s2)CCO1
InChIInChI=1S/C11H12N2O2S2/c14-17-10-7-13(5-6-15-10)11-12-8-3-1-2-4-9(8)16-11/h1-4,10,14H,5-7H2
InChIKeySWLDBVYFQAXINA-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.67
Rot. Bonds2

About 4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine

4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine (PubChem CID 19364528) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine
PubChem CID19364528
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine
SMILESOSC1CN(c2nc3ccccc3s2)CCO1
InChIInChI=1S/C11H12N2O2S2/c14-17-10-7-13(5-6-15-10)11-12-8-3-1-2-4-9(8)16-11/h1-4,10,14H,5-7H2
InChIKeySWLDBVYFQAXINA-UHFFFAOYSA-N
XLogP2.67
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine
CID 86774924
[4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163346253
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
2-[(3S)-3-methylpiperazin-1-yl]-1,3-benzothiazole
CID 94450634
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol
CID 133397784
(6R)-4-(1,3-benzothiazol-2-yl)-6-phenoxy-1,4-oxazepane
CID 75536962
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,3-benzothiazole
CID 60916528
[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 90610083
1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 141142598
1-(1,3-benzothiazol-2-yl)piperidine-3-carbaldehyde
CID 62664339
[(3S,4S)-1-(1,3-benzothiazol-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 133117010
2-(3-chloro-4-methylpiperidin-1-yl)-1,3-benzothiazole
CID 102960755

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine (CID 19364528) is 4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine is OSC1CN(c2nc3ccccc3s2)CCO1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine?
The InChIKey is SWLDBVYFQAXINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c14-17-10-7-13(5-6-15-10)11-12-8-3-1-2-4-9(8)16-11/h1-4,10,14H,5-7H2.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine?
4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine has a molecular weight of 268.36 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-2-hydroxysulfanylmorpholine is sourced from PubChem (CID 19364528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).