4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine

C9H15N3O2S3 — CID 63946602

IUPAC4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1S(=O)(=O)N1CCCSCC1
InChIInChI=1S/C9H15N3O2S3/c1-7-8(16-9(10)11-7)17(13,14)12-3-2-5-15-6-4-12/h2-6H2,1H3,(H2,10,11)
InChIKeyAXNIPYLADOMRCS-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.16
Rot. Bonds2

About 4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine

4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine (PubChem CID 63946602) has the molecular formula C9H15N3O2S3 and a molecular weight of 293.44 g/mol. Its IUPAC name is 4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine
PubChem CID63946602
Molecular FormulaC9H15N3O2S3
Molecular Weight293.44 g/mol
Exact Mass293.03
IUPAC Name4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1S(=O)(=O)N1CCCSCC1
InChIInChI=1S/C9H15N3O2S3/c1-7-8(16-9(10)11-7)17(13,14)12-3-2-5-15-6-4-12/h2-6H2,1H3,(H2,10,11)
InChIKeyAXNIPYLADOMRCS-UHFFFAOYSA-N
XLogP1.16
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine (CID 63946602) is 4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1S(=O)(=O)N1CCCSCC1.
What is the InChIKey of 4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine?
The InChIKey is AXNIPYLADOMRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S3/c1-7-8(16-9(10)11-7)17(13,14)12-3-2-5-15-6-4-12/h2-6H2,1H3,(H2,10,11).
What are the key properties of 4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine?
4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine has a molecular weight of 293.44 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1,4-thiazepan-4-ylsulfonyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63946602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).