N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine

C11H14N2O2S — CID 696316

IUPACN-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(NC2=NCCS2)c1
InChIInChI=1S/C11H14N2O2S/c1-14-8-3-4-10(15-2)9(7-8)13-11-12-5-6-16-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyQPWQUTVAEWYAGY-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.22
Rot. Bonds3

About N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 696316) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID696316
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(NC2=NCCS2)c1
InChIInChI=1S/C11H14N2O2S/c1-14-8-3-4-10(15-2)9(7-8)13-11-12-5-6-16-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyQPWQUTVAEWYAGY-UHFFFAOYSA-N
XLogP2.22
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 696316) is N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine is COc1ccc(OC)c(NC2=NCCS2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QPWQUTVAEWYAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-14-8-3-4-10(15-2)9(7-8)13-11-12-5-6-16-11/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 238.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 696316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).