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

C14H17N3O2S2 — CID 103382080

IUPAC4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine
SMILESCS(=O)(=O)c1c(N)nsc1N1CCc2ccccc2CC1
InChIInChI=1S/C14H17N3O2S2/c1-21(18,19)12-13(15)16-20-14(12)17-8-6-10-4-2-3-5-11(10)7-9-17/h2-5H,6-9H2,1H3,(H2,15,16)
InChIKeyFBSJIPYTVFXZCS-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.73
Rot. Bonds2

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

4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine (PubChem CID 103382080) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine
PubChem CID103382080
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine
SMILESCS(=O)(=O)c1c(N)nsc1N1CCc2ccccc2CC1
InChIInChI=1S/C14H17N3O2S2/c1-21(18,19)12-13(15)16-20-14(12)17-8-6-10-4-2-3-5-11(10)7-9-17/h2-5H,6-9H2,1H3,(H2,15,16)
InChIKeyFBSJIPYTVFXZCS-UHFFFAOYSA-N
XLogP1.73
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103380917
5-(4,4-dimethylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381662
5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103382034
5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103379610
5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381614
5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103361947
4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381800
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103382138
1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103381033
4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine
CID 103379933
4-cyclopropylsulfonyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505423
4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103365542

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine (CID 103382080) is 4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine is CS(=O)(=O)c1c(N)nsc1N1CCc2ccccc2CC1.
What is the InChIKey of 4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine?
The InChIKey is FBSJIPYTVFXZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-21(18,19)12-13(15)16-20-14(12)17-8-6-10-4-2-3-5-11(10)7-9-17/h2-5H,6-9H2,1H3,(H2,15,16).
What are the key properties of 4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine?
4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine has a molecular weight of 323.44 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103382080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).