4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one

C10H13N3O2S — CID 62897938

IUPAC4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
SMILESCc1nc(C(=O)N2CCCNC(=O)C2)cs1
InChIInChI=1S/C10H13N3O2S/c1-7-12-8(6-16-7)10(15)13-4-2-3-11-9(14)5-13/h6H,2-5H2,1H3,(H,11,14)
InChIKeyOLFBETQPLXEQOC-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.41
Rot. Bonds1

About 4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one

4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one (PubChem CID 62897938) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
PubChem CID62897938
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
SMILESCc1nc(C(=O)N2CCCNC(=O)C2)cs1
InChIInChI=1S/C10H13N3O2S/c1-7-12-8(6-16-7)10(15)13-4-2-3-11-9(14)5-13/h6H,2-5H2,1H3,(H,11,14)
InChIKeyOLFBETQPLXEQOC-UHFFFAOYSA-N
XLogP0.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one (CID 62897938) is 4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one is Cc1nc(C(=O)N2CCCNC(=O)C2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one?
The InChIKey is OLFBETQPLXEQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-7-12-8(6-16-7)10(15)13-4-2-3-11-9(14)5-13/h6H,2-5H2,1H3,(H,11,14).
What are the key properties of 4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one?
4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one has a molecular weight of 239.30 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 62897938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).