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

C9H15N3O3S2 — CID 103381681

IUPAC4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine
SMILESCS(=O)(=O)c1c(N)nsc1N1CCCOCC1
InChIInChI=1S/C9H15N3O3S2/c1-17(13,14)7-8(10)11-16-9(7)12-3-2-5-15-6-4-12/h2-6H2,1H3,(H2,10,11)
InChIKeyJISOGKDWRQJGOH-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.36
Rot. Bonds2

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

4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine (PubChem CID 103381681) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine
PubChem CID103381681
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine
SMILESCS(=O)(=O)c1c(N)nsc1N1CCCOCC1
InChIInChI=1S/C9H15N3O3S2/c1-17(13,14)7-8(10)11-16-9(7)12-3-2-5-15-6-4-12/h2-6H2,1H3,(H2,10,11)
InChIKeyJISOGKDWRQJGOH-UHFFFAOYSA-N
XLogP0.36
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4,4-dimethylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381662
4-methylsulfonyl-5-(4-propan-2-ylazepan-1-yl)-1,2-thiazol-3-amine
CID 103382069
5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103379610
4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine
CID 103382080
5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381614
4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103380926
1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103381033
4-methylsulfanyl-5-morpholin-4-yl-1,2-thiazol-3-amine
CID 103362097
5-(2,6-dimethylthiomorpholin-4-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103382034
5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103380917
3-amino-N-methyl-4-methylsulfonyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421762
4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381800

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine (CID 103381681) is 4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine is CS(=O)(=O)c1c(N)nsc1N1CCCOCC1.
What is the InChIKey of 4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine?
The InChIKey is JISOGKDWRQJGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S2/c1-17(13,14)7-8(10)11-16-9(7)12-3-2-5-15-6-4-12/h2-6H2,1H3,(H2,10,11).
What are the key properties of 4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine?
4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine has a molecular weight of 277.37 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103381681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).