[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone

C16H14N4OS2 — CID 45489255

IUPAC[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone
SMILESCc1nc(-c2nc3c(s2)CN(C(=O)c2ccncc2)CC3)cs1
InChIInChI=1S/C16H14N4OS2/c1-10-18-13(9-22-10)15-19-12-4-7-20(8-14(12)23-15)16(21)11-2-5-17-6-3-11/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyWRDWXAYVMXXPRS-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.17
Rot. Bonds2

About [2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone

[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone (PubChem CID 45489255) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is [2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone
PubChem CID45489255
Molecular FormulaC16H14N4OS2
Molecular Weight342.45 g/mol
Exact Mass342.06
IUPAC Name[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone
SMILESCc1nc(-c2nc3c(s2)CN(C(=O)c2ccncc2)CC3)cs1
InChIInChI=1S/C16H14N4OS2/c1-10-18-13(9-22-10)15-19-12-4-7-20(8-14(12)23-15)16(21)11-2-5-17-6-3-11/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyWRDWXAYVMXXPRS-UHFFFAOYSA-N
XLogP3.17
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone (CID 45489255) is [2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone is Cc1nc(-c2nc3c(s2)CN(C(=O)c2ccncc2)CC3)cs1.
What is the InChIKey of [2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone?
The InChIKey is WRDWXAYVMXXPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS2/c1-10-18-13(9-22-10)15-19-12-4-7-20(8-14(12)23-15)16(21)11-2-5-17-6-3-11/h2-3,5-6,9H,4,7-8H2,1H3.
What are the key properties of [2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone?
[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone has a molecular weight of 342.45 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 45489255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).