N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine

C12H14N2O2S — CID 592210

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nccs2)cc1OC
InChIInChI=1S/C12H14N2O2S/c1-15-10-4-3-9(7-11(10)16-2)8-14-12-13-5-6-17-12/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyPBUOVTFGZAHTAW-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.77
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine

N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 592210) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID592210
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nccs2)cc1OC
InChIInChI=1S/C12H14N2O2S/c1-15-10-4-3-9(7-11(10)16-2)8-14-12-13-5-6-17-12/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyPBUOVTFGZAHTAW-UHFFFAOYSA-N
XLogP2.77
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 592210) is N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1ccc(CNc2nccs2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is PBUOVTFGZAHTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-15-10-4-3-9(7-11(10)16-2)8-14-12-13-5-6-17-12/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine?
N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 250.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 592210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).