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

C19H17N3O4S — CID 24687849

IUPACN-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)CCNC(=O)c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C19H17N3O4S/c1-12(23)17-16(13-6-3-2-4-7-13)22-19(27-17)21-15(24)9-10-20-18(25)14-8-5-11-26-14/h2-8,11H,9-10H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyCSRCYFXFKCDHIQ-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.36
Rot. Bonds7

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

N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 24687849) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID24687849
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCC(=O)c1sc(NC(=O)CCNC(=O)c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C19H17N3O4S/c1-12(23)17-16(13-6-3-2-4-7-13)22-19(27-17)21-15(24)9-10-20-18(25)14-8-5-11-26-14/h2-8,11H,9-10H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyCSRCYFXFKCDHIQ-UHFFFAOYSA-N
XLogP3.36
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide (CID 24687849) is N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide is CC(=O)c1sc(NC(=O)CCNC(=O)c2ccco2)nc1-c1ccccc1.
What is the InChIKey of N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is CSRCYFXFKCDHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-12(23)17-16(13-6-3-2-4-7-13)22-19(27-17)21-15(24)9-10-20-18(25)14-8-5-11-26-14/h2-8,11H,9-10H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-acetyl-4-phenyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 24687849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).