7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine

C15H16N4S2 — CID 71541277

IUPAC7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine
SMILESNc1nc2cc3c(cc2s1)CCN(Cc1cscn1)CC3
InChIInChI=1S/C15H16N4S2/c16-15-18-13-5-10-1-3-19(7-12-8-20-9-17-12)4-2-11(10)6-14(13)21-15/h5-6,8-9H,1-4,7H2,(H2,16,18)
InChIKeyKFUGNQAXLKYRFD-UHFFFAOYSA-N
MW316.46 g/mol
LogP2.94
Rot. Bonds2

About 7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine

7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine (PubChem CID 71541277) has the molecular formula C15H16N4S2 and a molecular weight of 316.46 g/mol. Its IUPAC name is 7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine.

Molecular Properties

Compound Name7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine
PubChem CID71541277
Molecular FormulaC15H16N4S2
Molecular Weight316.46 g/mol
Exact Mass316.08
IUPAC Name7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine
SMILESNc1nc2cc3c(cc2s1)CCN(Cc1cscn1)CC3
InChIInChI=1S/C15H16N4S2/c16-15-18-13-5-10-1-3-19(7-12-8-20-9-17-12)4-2-11(10)6-14(13)21-15/h5-6,8-9H,1-4,7H2,(H2,16,18)
InChIKeyKFUGNQAXLKYRFD-UHFFFAOYSA-N
XLogP2.94
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-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 7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine?
The IUPAC name of 7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine (CID 71541277) is 7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine.
What is the SMILES notation for 7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine?
The canonical SMILES for 7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine is Nc1nc2cc3c(cc2s1)CCN(Cc1cscn1)CC3.
What is the InChIKey of 7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine?
The InChIKey is KFUGNQAXLKYRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S2/c16-15-18-13-5-10-1-3-19(7-12-8-20-9-17-12)4-2-11(10)6-14(13)21-15/h5-6,8-9H,1-4,7H2,(H2,16,18).
What are the key properties of 7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine?
7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine has a molecular weight of 316.46 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-thiazol-4-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine is sourced from PubChem (CID 71541277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).