4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine

C16H19N3OS — CID 680797

IUPAC4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NC3=NCCCCC3)n2)cc1
InChIInChI=1S/C16H19N3OS/c1-20-13-8-6-12(7-9-13)14-11-21-16(18-14)19-15-5-3-2-4-10-17-15/h6-9,11H,2-5,10H2,1H3,(H,17,18,19)
InChIKeyYDGODOSFURIMFP-UHFFFAOYSA-N
MW301.42 g/mol
LogP4.20
Rot. Bonds3

About 4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine

4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine (PubChem CID 680797) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine
PubChem CID680797
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NC3=NCCCCC3)n2)cc1
InChIInChI=1S/C16H19N3OS/c1-20-13-8-6-12(7-9-13)14-11-21-16(18-14)19-15-5-3-2-4-10-17-15/h6-9,11H,2-5,10H2,1H3,(H,17,18,19)
InChIKeyYDGODOSFURIMFP-UHFFFAOYSA-N
XLogP4.20
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-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 4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine (CID 680797) is 4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(NC3=NCCCCC3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine?
The InChIKey is YDGODOSFURIMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-20-13-8-6-12(7-9-13)14-11-21-16(18-14)19-15-5-3-2-4-10-17-15/h6-9,11H,2-5,10H2,1H3,(H,17,18,19).
What are the key properties of 4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine has a molecular weight of 301.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 680797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).