3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole

C10H11NOS — CID 162757963

IUPAC3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole
SMILESCOc1cccc(C2C=CSN2)c1
InChIInChI=1S/C10H11NOS/c1-12-9-4-2-3-8(7-9)10-5-6-13-11-10/h2-7,10-11H,1H3
InChIKeyAKHAAZGHMJUKHT-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.50
Rot. Bonds2

About 3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole

3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole (PubChem CID 162757963) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole
PubChem CID162757963
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole
SMILESCOc1cccc(C2C=CSN2)c1
InChIInChI=1S/C10H11NOS/c1-12-9-4-2-3-8(7-9)10-5-6-13-11-10/h2-7,10-11H,1H3
InChIKeyAKHAAZGHMJUKHT-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-(3-methoxyphenyl)-1,3-dithiane
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(2R,4R,6R,8S)-2,4,6,8-tetrakis(3-methoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 98153067
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole?
The IUPAC name of 3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole (CID 162757963) is 3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole?
The canonical SMILES for 3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole is COc1cccc(C2C=CSN2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole?
The InChIKey is AKHAAZGHMJUKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-12-9-4-2-3-8(7-9)10-5-6-13-11-10/h2-7,10-11H,1H3.
What are the key properties of 3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole?
3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole has a molecular weight of 193.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole is sourced from PubChem (CID 162757963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).