2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide

C17H20N4OS — CID 54322239

IUPAC2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide
SMILESNC(=O)c1ccccc1C=CCN1CCc2nc(N)sc2CC1
InChIInChI=1S/C17H20N4OS/c18-16(22)13-6-2-1-4-12(13)5-3-9-21-10-7-14-15(8-11-21)23-17(19)20-14/h1-6H,7-11H2,(H2,18,22)(H2,19,20)
InChIKeySSLIILIMRYOJIE-UHFFFAOYSA-N
MW328.44 g/mol
LogP1.94
Rot. Bonds4

About 2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide

2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide (PubChem CID 54322239) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide.

Molecular Properties

Compound Name2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide
PubChem CID54322239
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide
SMILESNC(=O)c1ccccc1C=CCN1CCc2nc(N)sc2CC1
InChIInChI=1S/C17H20N4OS/c18-16(22)13-6-2-1-4-12(13)5-3-9-21-10-7-14-15(8-11-21)23-17(19)20-14/h1-6H,7-11H2,(H2,18,22)(H2,19,20)
InChIKeySSLIILIMRYOJIE-UHFFFAOYSA-N
XLogP1.94
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(E)-3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]phenol
CID 19985725
3-[(E)-3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzene-1,2-diol
CID 19985756
6-[3-(2-amino-1,3-benzothiazol-4-yl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
CID 54328632
3-[(E)-3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzoic acid
CID 19985732
6-[(E)-3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
CID 19985868
6-(3-cyclopenta[c]thiopyran-7-ylprop-2-enyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
CID 173249999
6-[(E)-3-(2-methyl-5-phenylmethoxyphenyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
CID 19985883
6-[3-(3-methoxy-2-pyridinyl)prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
CID 54308739
3-[(E)-3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]-5-methoxyphenol
CID 19985917
6-[(E)-3-[3-(pyridin-3-ylmethoxy)phenyl]prop-2-enyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
CID 19985735
6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442519
2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-methylacetamide
CID 28505495

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide?
The IUPAC name of 2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide (CID 54322239) is 2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide.
What is the SMILES notation for 2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide?
The canonical SMILES for 2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide is NC(=O)c1ccccc1C=CCN1CCc2nc(N)sc2CC1.
What is the InChIKey of 2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide?
The InChIKey is SSLIILIMRYOJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c18-16(22)13-6-2-1-4-12(13)5-3-9-21-10-7-14-15(8-11-21)23-17(19)20-14/h1-6H,7-11H2,(H2,18,22)(H2,19,20).
What are the key properties of 2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide?
2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide has a molecular weight of 328.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)prop-1-enyl]benzamide is sourced from PubChem (CID 54322239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).