1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione

C18H19N3O2S — CID 167913987

IUPAC1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(-c2cc3c(s2)CCNC3)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C18H19N3O2S/c1-11-2-3-12(16-9-13-10-19-6-4-15(13)24-16)8-14(11)21-7-5-17(22)20-18(21)23/h2-3,8-9,19H,4-7,10H2,1H3,(H,20,22,23)
InChIKeyITEWJPYYMPMETN-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.82
Rot. Bonds2

About 1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione

1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 167913987) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione
PubChem CID167913987
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione
SMILESCc1ccc(-c2cc3c(s2)CCNC3)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C18H19N3O2S/c1-11-2-3-12(16-9-13-10-19-6-4-15(13)24-16)8-14(11)21-7-5-17(22)20-18(21)23/h2-3,8-9,19H,4-7,10H2,1H3,(H,20,22,23)
InChIKeyITEWJPYYMPMETN-UHFFFAOYSA-N
XLogP2.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione (CID 167913987) is 1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione is Cc1ccc(-c2cc3c(s2)CCNC3)cc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is ITEWJPYYMPMETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-2-3-12(16-9-13-10-19-6-4-15(13)24-16)8-14(11)21-7-5-17(22)20-18(21)23/h2-3,8-9,19H,4-7,10H2,1H3,(H,20,22,23).
What are the key properties of 1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione?
1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 341.44 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167913987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).