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

C10H16N4O2S — CID 103384693

IUPAC4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
SMILESCOc1c(N)nsc1N1CCCN(C)C(=O)C1
InChIInChI=1S/C10H16N4O2S/c1-13-4-3-5-14(6-7(13)15)10-8(16-2)9(11)12-17-10/h3-6H2,1-2H3,(H2,11,12)
InChIKeyGDNOEEBKEAEILO-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.40
Rot. Bonds2

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

4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one (PubChem CID 103384693) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
PubChem CID103384693
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
SMILESCOc1c(N)nsc1N1CCCN(C)C(=O)C1
InChIInChI=1S/C10H16N4O2S/c1-13-4-3-5-14(6-7(13)15)10-8(16-2)9(11)12-17-10/h3-6H2,1-2H3,(H2,11,12)
InChIKeyGDNOEEBKEAEILO-UHFFFAOYSA-N
XLogP0.40
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one (CID 103384693) is 4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one is COc1c(N)nsc1N1CCCN(C)C(=O)C1.
What is the InChIKey of 4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is GDNOEEBKEAEILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-13-4-3-5-14(6-7(13)15)10-8(16-2)9(11)12-17-10/h3-6H2,1-2H3,(H2,11,12).
What are the key properties of 4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one?
4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 256.33 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 103384693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).