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

C12H18N4O3S2 — CID 103349871

IUPAC4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2snc(N)c2S(=O)(=O)C2CC2)CC1=O
InChIInChI=1S/C12H18N4O3S2/c1-15-5-2-6-16(7-9(15)17)12-10(11(13)14-20-12)21(18,19)8-3-4-8/h8H,2-7H2,1H3,(H2,13,14)
InChIKeyGLGODZXDLGVAGR-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.33
Rot. Bonds3

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

4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one (PubChem CID 103349871) has the molecular formula C12H18N4O3S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
PubChem CID103349871
Molecular FormulaC12H18N4O3S2
Molecular Weight330.44 g/mol
Exact Mass330.08
IUPAC Name4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(c2snc(N)c2S(=O)(=O)C2CC2)CC1=O
InChIInChI=1S/C12H18N4O3S2/c1-15-5-2-6-16(7-9(15)17)12-10(11(13)14-20-12)21(18,19)8-3-4-8/h8H,2-7H2,1H3,(H2,13,14)
InChIKeyGLGODZXDLGVAGR-UHFFFAOYSA-N
XLogP0.33
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103365809
4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103365815
4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103384693
4-cyclopropylsulfonyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505423
4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349855
4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349182
1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103349281
4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine
CID 103349903
4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103542353
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
3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382124
[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
CID 103349210

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one (CID 103349871) is 4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(c2snc(N)c2S(=O)(=O)C2CC2)CC1=O.
What is the InChIKey of 4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is GLGODZXDLGVAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S2/c1-15-5-2-6-16(7-9(15)17)12-10(11(13)14-20-12)21(18,19)8-3-4-8/h8H,2-7H2,1H3,(H2,13,14).
What are the key properties of 4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 330.44 g/mol, XLogP of 0.33, 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-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 103349871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).