7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride

C15H19Cl2N3S — CID 66706757

IUPAC7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
SMILESCc1nc(CNc2c(Cl)ccc3c2CCNCC3)cs1.Cl
InChIInChI=1S/C15H18ClN3S.ClH/c1-10-19-12(9-20-10)8-18-15-13-5-7-17-6-4-11(13)2-3-14(15)16;/h2-3,9,17-18H,4-8H2,1H3;1H
InChIKeyDDSOAAHSFNKOLZ-UHFFFAOYSA-N
MW344.31 g/mol
LogP3.83
Rot. Bonds3

About 7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride

7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride (PubChem CID 66706757) has the molecular formula C15H19Cl2N3S and a molecular weight of 344.31 g/mol. Its IUPAC name is 7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride.

Molecular Properties

Compound Name7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
PubChem CID66706757
Molecular FormulaC15H19Cl2N3S
Molecular Weight344.31 g/mol
Exact Mass343.07
IUPAC Name7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride
SMILESCc1nc(CNc2c(Cl)ccc3c2CCNCC3)cs1.Cl
InChIInChI=1S/C15H18ClN3S.ClH/c1-10-19-12(9-20-10)8-18-15-13-5-7-17-6-4-11(13)2-3-14(15)16;/h2-3,9,17-18H,4-8H2,1H3;1H
InChIKeyDDSOAAHSFNKOLZ-UHFFFAOYSA-N
XLogP3.83
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
The IUPAC name of 7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride (CID 66706757) is 7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride.
What is the SMILES notation for 7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
The canonical SMILES for 7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride is Cc1nc(CNc2c(Cl)ccc3c2CCNCC3)cs1.Cl.
What is the InChIKey of 7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
The InChIKey is DDSOAAHSFNKOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S.ClH/c1-10-19-12(9-20-10)8-18-15-13-5-7-17-6-4-11(13)2-3-14(15)16;/h2-3,9,17-18H,4-8H2,1H3;1H.
What are the key properties of 7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride?
7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride has a molecular weight of 344.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine;hydrochloride is sourced from PubChem (CID 66706757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).