1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine

C19H22N2OS2 — CID 110221801

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine
SMILESCOc1ccccc1CNC(Cc1cccs1)c1nc(C)c(C)s1
InChIInChI=1S/C19H22N2OS2/c1-13-14(2)24-19(21-13)17(11-16-8-6-10-23-16)20-12-15-7-4-5-9-18(15)22-3/h4-10,17,20H,11-12H2,1-3H3
InChIKeyDNNGXCBCELSZIY-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.90
Rot. Bonds7

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 110221801) has the molecular formula C19H22N2OS2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine
PubChem CID110221801
Molecular FormulaC19H22N2OS2
Molecular Weight358.53 g/mol
Exact Mass358.12
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine
SMILESCOc1ccccc1CNC(Cc1cccs1)c1nc(C)c(C)s1
InChIInChI=1S/C19H22N2OS2/c1-13-14(2)24-19(21-13)17(11-16-8-6-10-23-16)20-12-15-7-4-5-9-18(15)22-3/h4-10,17,20H,11-12H2,1-3H3
InChIKeyDNNGXCBCELSZIY-UHFFFAOYSA-N
XLogP4.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine 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 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine (CID 110221801) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine is COc1ccccc1CNC(Cc1cccs1)c1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is DNNGXCBCELSZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS2/c1-13-14(2)24-19(21-13)17(11-16-8-6-10-23-16)20-12-15-7-4-5-9-18(15)22-3/h4-10,17,20H,11-12H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 358.53 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 110221801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).