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

C17H18N4S — CID 71541180

IUPAC7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine
SMILESNc1nc2cc3c(cc2s1)CCN(Cc1cccnc1)CC3
InChIInChI=1S/C17H18N4S/c18-17-20-15-8-13-3-6-21(11-12-2-1-5-19-10-12)7-4-14(13)9-16(15)22-17/h1-2,5,8-10H,3-4,6-7,11H2,(H2,18,20)
InChIKeyJPKHZHOYEQNEDE-UHFFFAOYSA-N
MW310.43 g/mol
LogP2.87
Rot. Bonds2

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

7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine (PubChem CID 71541180) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine.

Molecular Properties

Compound Name7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine
PubChem CID71541180
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine
SMILESNc1nc2cc3c(cc2s1)CCN(Cc1cccnc1)CC3
InChIInChI=1S/C17H18N4S/c18-17-20-15-8-13-3-6-21(11-12-2-1-5-19-10-12)7-4-14(13)9-16(15)22-17/h1-2,5,8-10H,3-4,6-7,11H2,(H2,18,20)
InChIKeyJPKHZHOYEQNEDE-UHFFFAOYSA-N
XLogP2.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-(1,3-Benzothiazol-2-yl)pyridin-2-amine
CID 4868360
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
CID 5458748
4-(1,3-Benzothiazol-6-yl)pyridine-2,6-diamine
CID 166636171
2-Aminothiazolobenzazepine
CID 71500036
7-Benzyl-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine
CID 71541083
7-[(3-Fluorophenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine
CID 71541174
GMC-1111 free base
CID 9904074
6-(Pyridin-4-yl)benzo[d]thiazol-2-amine
CID 53318615
6-Pyridin-3-yl-1,3-benzothiazol-2-amine
CID 72544842
6-[5-(Methylsulfonyl)-3-pyridinyl]-2-benzothiazolamine
CID 87562294
6-[6-(Trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 122184474
N-cyclohexyl-6-[(pyridin-3-ylamino)methyl]-1,3-benzothiazol-2-amine
CID 142338394

Frequently Asked Questions

What is the IUPAC name of 7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine?
The IUPAC name of 7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine (CID 71541180) is 7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine.
What is the SMILES notation for 7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine?
The canonical SMILES for 7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine is Nc1nc2cc3c(cc2s1)CCN(Cc1cccnc1)CC3.
What is the InChIKey of 7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine?
The InChIKey is JPKHZHOYEQNEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c18-17-20-15-8-13-3-6-21(11-12-2-1-5-19-10-12)7-4-14(13)9-16(15)22-17/h1-2,5,8-10H,3-4,6-7,11H2,(H2,18,20).
What are the key properties of 7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine?
7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine has a molecular weight of 310.43 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine is sourced from PubChem (CID 71541180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).