N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine

C13H15N3S — CID 103982417

IUPACN-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine
SMILESc1ccc2c(c1)CNCCC2Nc1nccs1
InChIInChI=1S/C13H15N3S/c1-2-4-11-10(3-1)9-14-6-5-12(11)16-13-15-7-8-17-13/h1-4,7-8,12,14H,5-6,9H2,(H,15,16)
InChIKeyDPNKSVTUQDSZCS-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.79
Rot. Bonds2

About N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine

N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine (PubChem CID 103982417) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine
PubChem CID103982417
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine
SMILESc1ccc2c(c1)CNCCC2Nc1nccs1
InChIInChI=1S/C13H15N3S/c1-2-4-11-10(3-1)9-14-6-5-12(11)16-13-15-7-8-17-13/h1-4,7-8,12,14H,5-6,9H2,(H,15,16)
InChIKeyDPNKSVTUQDSZCS-UHFFFAOYSA-N
XLogP2.79
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982407
N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980336
N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 107588061
N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980517
N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361432
N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980640
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-1,3-thiazol-2-amine
CID 78982946
N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980315
N-(cyclobutylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980896
N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980493
N-(3-bromophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980512
N-(4-bromo-2,6-dichlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980862

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine (CID 103982417) is N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine is c1ccc2c(c1)CNCCC2Nc1nccs1.
What is the InChIKey of N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine?
The InChIKey is DPNKSVTUQDSZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-2-4-11-10(3-1)9-14-6-5-12(11)16-13-15-7-8-17-13/h1-4,7-8,12,14H,5-6,9H2,(H,15,16).
What are the key properties of N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine?
N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine has a molecular weight of 245.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 103982417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).