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

C19H16N4O3S — CID 11988318

IUPAC[4-(furan-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone
SMILESO=C(c1sc(-c2nc3ncccc3[nH]2)nc1-c1ccco1)C1CCOCC1
InChIInChI=1S/C19H16N4O3S/c24-15(11-5-9-25-10-6-11)16-14(13-4-2-8-26-13)22-19(27-16)18-21-12-3-1-7-20-17(12)23-18/h1-4,7-8,11H,5-6,9-10H2,(H,20,21,23)
InChIKeyDCNSDQWDLGIUQS-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.95
Rot. Bonds4

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

[4-(furan-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone (PubChem CID 11988318) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is [4-(furan-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone
PubChem CID11988318
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name[4-(furan-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone
SMILESO=C(c1sc(-c2nc3ncccc3[nH]2)nc1-c1ccco1)C1CCOCC1
InChIInChI=1S/C19H16N4O3S/c24-15(11-5-9-25-10-6-11)16-14(13-4-2-8-26-13)22-19(27-16)18-21-12-3-1-7-20-17(12)23-18/h1-4,7-8,11H,5-6,9-10H2,(H,20,21,23)
InChIKeyDCNSDQWDLGIUQS-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-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(furan-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone (CID 11988318) is [4-(furan-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(furan-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(furan-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone is O=C(c1sc(-c2nc3ncccc3[nH]2)nc1-c1ccco1)C1CCOCC1.
What is the InChIKey of [4-(furan-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone?
The InChIKey is DCNSDQWDLGIUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c24-15(11-5-9-25-10-6-11)16-14(13-4-2-8-26-13)22-19(27-16)18-21-12-3-1-7-20-17(12)23-18/h1-4,7-8,11H,5-6,9-10H2,(H,20,21,23).
What are the key properties of [4-(furan-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone?
[4-(furan-2-yl)-2-(1H-imidazo[4,5-b]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-(1H-imidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-5-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 11988318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).