N-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide

C19H15N3O5S — CID 7999200

IUPACN-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C19H15N3O5S/c23-15(7-8-20-18(24)14-6-3-11-27-14)21-19-22-16(12-4-1-9-25-12)17(28-19)13-5-2-10-26-13/h1-6,9-11H,7-8H2,(H,20,24)(H,21,22,23)
InChIKeyBOUNYTGACJPLMS-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.01
Rot. Bonds7

About N-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 7999200) has the molecular formula C19H15N3O5S and a molecular weight of 397.41 g/mol. Its IUPAC name is N-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID7999200
Molecular FormulaC19H15N3O5S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC NameN-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C19H15N3O5S/c23-15(7-8-20-18(24)14-6-3-11-27-14)21-19-22-16(12-4-1-9-25-12)17(28-19)13-5-2-10-26-13/h1-6,9-11H,7-8H2,(H,20,24)(H,21,22,23)
InChIKeyBOUNYTGACJPLMS-UHFFFAOYSA-N
XLogP4.01
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide (CID 7999200) is N-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)Nc1nc(-c2ccco2)c(-c2ccco2)s1.
What is the InChIKey of N-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is BOUNYTGACJPLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5S/c23-15(7-8-20-18(24)14-6-3-11-27-14)21-19-22-16(12-4-1-9-25-12)17(28-19)13-5-2-10-26-13/h1-6,9-11H,7-8H2,(H,20,24)(H,21,22,23).
What are the key properties of N-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 7999200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).