[4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone

C19H14N4O2S2 — CID 67118652

IUPAC[4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1sc(-c2nc3c([nH]2)CSCC3)nc1-c1ccco1
InChIInChI=1S/C19H14N4O2S2/c24-16(12-4-1-2-7-20-12)17-15(14-5-3-8-25-14)23-19(27-17)18-21-11-6-9-26-10-13(11)22-18/h1-5,7-8H,6,9-10H2,(H,21,22)
InChIKeyLBVRYYHOKYNBRX-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.21
Rot. Bonds4

About [4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone

[4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone (PubChem CID 67118652) has the molecular formula C19H14N4O2S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is [4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone
PubChem CID67118652
Molecular FormulaC19H14N4O2S2
Molecular Weight394.48 g/mol
Exact Mass394.06
IUPAC Name[4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1sc(-c2nc3c([nH]2)CSCC3)nc1-c1ccco1
InChIInChI=1S/C19H14N4O2S2/c24-16(12-4-1-2-7-20-12)17-15(14-5-3-8-25-14)23-19(27-17)18-21-11-6-9-26-10-13(11)22-18/h1-5,7-8H,6,9-10H2,(H,21,22)
InChIKeyLBVRYYHOKYNBRX-UHFFFAOYSA-N
XLogP4.21
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone (CID 67118652) is [4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)c1sc(-c2nc3c([nH]2)CSCC3)nc1-c1ccco1.
What is the InChIKey of [4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone?
The InChIKey is LBVRYYHOKYNBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S2/c24-16(12-4-1-2-7-20-12)17-15(14-5-3-8-25-14)23-19(27-17)18-21-11-6-9-26-10-13(11)22-18/h1-5,7-8H,6,9-10H2,(H,21,22).
What are the key properties of [4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone?
[4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone has a molecular weight of 394.48 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-yl)-2-(3,4,6,7-tetrahydrothiopyrano[3,4-d]imidazol-2-yl)-1,3-thiazol-5-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 67118652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).