methyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate

C10H12N2O3S — CID 6283170

IUPACmethyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate
SMILESCOC(=O)/C=c1\sc2n(c1=O)CCCCN=2
InChIInChI=1S/C10H12N2O3S/c1-15-8(13)6-7-9(14)12-5-3-2-4-11-10(12)16-7/h6H,2-5H2,1H3/b7-6-
InChIKeyFFJQMYBKIGAYTN-SREVYHEPSA-N
MW240.28 g/mol
LogP-0.72
Rot. Bonds1

About methyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate

methyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate (PubChem CID 6283170) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is methyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate
PubChem CID6283170
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Namemethyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate
SMILESCOC(=O)/C=c1\sc2n(c1=O)CCCCN=2
InChIInChI=1S/C10H12N2O3S/c1-15-8(13)6-7-9(14)12-5-3-2-4-11-10(12)16-7/h6H,2-5H2,1H3/b7-6-
InChIKeyFFJQMYBKIGAYTN-SREVYHEPSA-N
XLogP-0.72
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate (CID 6283170) is methyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate is COC(=O)/C=c1\sc2n(c1=O)CCCCN=2.
What is the InChIKey of methyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate?
The InChIKey is FFJQMYBKIGAYTN-SREVYHEPSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-15-8(13)6-7-9(14)12-5-3-2-4-11-10(12)16-7/h6H,2-5H2,1H3/b7-6-.
What are the key properties of methyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate?
methyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate has a molecular weight of 240.28 g/mol, XLogP of -0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(3-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepin-2-ylidene)acetate is sourced from PubChem (CID 6283170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).