N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine

C17H23N3S — CID 79761275

IUPACN-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN2CCCc3ccccc3C2)s1
InChIInChI=1S/C17H23N3S/c1-2-9-18-17-19-11-16(21-17)13-20-10-5-8-14-6-3-4-7-15(14)12-20/h3-4,6-7,11H,2,5,8-10,12-13H2,1H3,(H,18,19)
InChIKeyATXXQYGCIBARGJ-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.91
Rot. Bonds5

About N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine

N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 79761275) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID79761275
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN2CCCc3ccccc3C2)s1
InChIInChI=1S/C17H23N3S/c1-2-9-18-17-19-11-16(21-17)13-20-10-5-8-14-6-3-4-7-15(14)12-20/h3-4,6-7,11H,2,5,8-10,12-13H2,1H3,(H,18,19)
InChIKeyATXXQYGCIBARGJ-UHFFFAOYSA-N
XLogP3.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine (CID 79761275) is N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine is CCCNc1ncc(CN2CCCc3ccccc3C2)s1.
What is the InChIKey of N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is ATXXQYGCIBARGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-2-9-18-17-19-11-16(21-17)13-20-10-5-8-14-6-3-4-7-15(14)12-20/h3-4,6-7,11H,2,5,8-10,12-13H2,1H3,(H,18,19).
What are the key properties of N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine?
N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 301.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79761275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).