4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one

C11H18N4O3S2 — CID 103365809

IUPAC4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
SMILESCCS(=O)(=O)c1c(N)nsc1N1CCCN(C)C(=O)C1
InChIInChI=1S/C11H18N4O3S2/c1-3-20(17,18)9-10(12)13-19-11(9)15-6-4-5-14(2)8(16)7-15/h3-7H2,1-2H3,(H2,12,13)
InChIKeyVIXBXUSFKCJWKE-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.19
Rot. Bonds3

About 4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one

4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one (PubChem CID 103365809) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
PubChem CID103365809
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Name4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
SMILESCCS(=O)(=O)c1c(N)nsc1N1CCCN(C)C(=O)C1
InChIInChI=1S/C11H18N4O3S2/c1-3-20(17,18)9-10(12)13-19-11(9)15-6-4-5-14(2)8(16)7-15/h3-7H2,1-2H3,(H2,12,13)
InChIKeyVIXBXUSFKCJWKE-UHFFFAOYSA-N
XLogP0.19
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103349871
4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103384693
4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103365815
4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103362141
4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103360501
4-(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-1,4-diazepan-2-one
CID 103363215
4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-1-methyl-1,4-diazepan-2-one
CID 103384690
4-ethylsulfonyl-5-(3-methoxypiperidin-1-yl)-1,2-thiazol-3-amine
CID 103365873
4-ethylsulfonyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103359106
3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382124
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylsulfonyl-1,2-thiazol-3-amine
CID 103364823
5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103361947

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one (CID 103365809) is 4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one is CCS(=O)(=O)c1c(N)nsc1N1CCCN(C)C(=O)C1.
What is the InChIKey of 4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is VIXBXUSFKCJWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-3-20(17,18)9-10(12)13-19-11(9)15-6-4-5-14(2)8(16)7-15/h3-7H2,1-2H3,(H2,12,13).
What are the key properties of 4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 318.42 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 103365809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).