N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C17H18N2OS — CID 63182893

IUPACN-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCc1ccccc1NC1=NC(c2ccccc2)CS1
InChIInChI=1S/C17H18N2OS/c1-20-11-14-9-5-6-10-15(14)18-17-19-16(12-21-17)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,18,19)
InChIKeyDQPOQHBYUJLXGW-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.09
Rot. Bonds4

About N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63182893) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63182893
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCc1ccccc1NC1=NC(c2ccccc2)CS1
InChIInChI=1S/C17H18N2OS/c1-20-11-14-9-5-6-10-15(14)18-17-19-16(12-21-17)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,18,19)
InChIKeyDQPOQHBYUJLXGW-UHFFFAOYSA-N
XLogP4.09
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63182893) is N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is COCc1ccccc1NC1=NC(c2ccccc2)CS1.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DQPOQHBYUJLXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-20-11-14-9-5-6-10-15(14)18-17-19-16(12-21-17)13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,18,19).
What are the key properties of N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 298.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63182893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).