4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one

C10H10N2OS — CID 143483106

IUPAC4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one
SMILESCC1=CCNC(=O)C(c2cncs2)=C1
InChIInChI=1S/C10H10N2OS/c1-7-2-3-12-10(13)8(4-7)9-5-11-6-14-9/h2,4-6H,3H2,1H3,(H,12,13)
InChIKeyCUYINPIDSACZIG-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.60
Rot. Bonds1

About 4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one

4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one (PubChem CID 143483106) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one.

Molecular Properties

Compound Name4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one
PubChem CID143483106
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one
SMILESCC1=CCNC(=O)C(c2cncs2)=C1
InChIInChI=1S/C10H10N2OS/c1-7-2-3-12-10(13)8(4-7)9-5-11-6-14-9/h2,4-6H,3H2,1H3,(H,12,13)
InChIKeyCUYINPIDSACZIG-UHFFFAOYSA-N
XLogP1.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2E,4E)-2-ethenyl-4-fluoro-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]hexa-2,4-dienamide
CID 143454822
(E)-N-methyl-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 131242995
3-methyl-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridin-2-one
CID 113876886
(2E,4Z)-6-[2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1,3-thiazol-5-yl]-N,2-dimethylhepta-2,4,6-trienamide
CID 144304118
6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile
CID 15594634
5-(tert-butylamino)-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
CID 58709774
5-Amino-3-thiazol-5-ylpyridin-2-ol
CID 58709980
5-Amino-1-methyl-3-thiazol-5-yl-1H-pyridin-2-one
CID 58710057
5-Nitro-3-thiazol-5-ylpyridin-2-ol
CID 58710081
1,5-Dimethyl-3-(1,3-thiazol-5-yl)pyridin-2-one
CID 58893369
5-methyl-3-(1,3-thiazol-5-yl)-1H-pyridin-2-one
CID 59854555
2-Propan-2-yl-4-(1,3-thiazol-5-yl)pyridazin-3-one
CID 69976380

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one?
The IUPAC name of 4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one (CID 143483106) is 4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one.
What is the SMILES notation for 4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one?
The canonical SMILES for 4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one is CC1=CCNC(=O)C(c2cncs2)=C1.
What is the InChIKey of 4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one?
The InChIKey is CUYINPIDSACZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-7-2-3-12-10(13)8(4-7)9-5-11-6-14-9/h2,4-6H,3H2,1H3,(H,12,13).
What are the key properties of 4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one?
4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one has a molecular weight of 206.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1,3-thiazol-5-yl)-1,2-dihydroazepin-7-one is sourced from PubChem (CID 143483106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).