[4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone

C19H16N4O3S — CID 67118966

IUPAC[4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone
SMILESO=C(c1sc(-c2nc3ccncc3[nH]2)nc1-c1ccco1)C1CCOCC1
InChIInChI=1S/C19H16N4O3S/c24-16(11-4-8-25-9-5-11)17-15(14-2-1-7-26-14)23-19(27-17)18-21-12-3-6-20-10-13(12)22-18/h1-3,6-7,10-11H,4-5,8-9H2,(H,21,22)
InChIKeyYSQAOQDFFIMNGS-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.95
Rot. Bonds4

About [4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone

[4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone (PubChem CID 67118966) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is [4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone
PubChem CID67118966
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name[4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone
SMILESO=C(c1sc(-c2nc3ccncc3[nH]2)nc1-c1ccco1)C1CCOCC1
InChIInChI=1S/C19H16N4O3S/c24-16(11-4-8-25-9-5-11)17-15(14-2-1-7-26-14)23-19(27-17)18-21-12-3-6-20-10-13(12)22-18/h1-3,6-7,10-11H,4-5,8-9H2,(H,21,22)
InChIKeyYSQAOQDFFIMNGS-UHFFFAOYSA-N
XLogP3.95
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.95
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-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone (CID 67118966) is [4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone is O=C(c1sc(-c2nc3ccncc3[nH]2)nc1-c1ccco1)C1CCOCC1.
What is the InChIKey of [4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone?
The InChIKey is YSQAOQDFFIMNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c24-16(11-4-8-25-9-5-11)17-15(14-2-1-7-26-14)23-19(27-17)18-21-12-3-6-20-10-13(12)22-18/h1-3,6-7,10-11H,4-5,8-9H2,(H,21,22).
What are the key properties of [4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone?
[4-(furan-2-yl)-2-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone has a molecular weight of 380.43 g/mol, XLogP of 3.95, 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-(3H-imidazo[4,5-c]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 67118966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).