N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C17H18N2O3S — CID 126815519

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(C=CC(=O)Nc2nc3c(s2)COCC3)o1
InChIInChI=1S/C17H18N2O3S/c1-10-8-12(10)14-4-2-11(22-14)3-5-16(20)19-17-18-13-6-7-21-9-15(13)23-17/h2-5,10,12H,6-9H2,1H3,(H,18,19,20)
InChIKeyKYNKFJTYGOKUDP-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.58
Rot. Bonds4

About N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 126815519) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID126815519
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(C=CC(=O)Nc2nc3c(s2)COCC3)o1
InChIInChI=1S/C17H18N2O3S/c1-10-8-12(10)14-4-2-11(22-14)3-5-16(20)19-17-18-13-6-7-21-9-15(13)23-17/h2-5,10,12H,6-9H2,1H3,(H,18,19,20)
InChIKeyKYNKFJTYGOKUDP-UHFFFAOYSA-N
XLogP3.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 126815519) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CC1CC1c1ccc(C=CC(=O)Nc2nc3c(s2)COCC3)o1.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is KYNKFJTYGOKUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-10-8-12(10)14-4-2-11(22-14)3-5-16(20)19-17-18-13-6-7-21-9-15(13)23-17/h2-5,10,12H,6-9H2,1H3,(H,18,19,20).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 330.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 126815519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).