N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide

C15H16N2O3S — CID 23144378

IUPACN-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCC(C)C(=O)c1sc(NC(=O)C2CC2)nc1-c1ccco1
InChIInChI=1S/C15H16N2O3S/c1-8(2)12(18)13-11(10-4-3-7-20-10)16-15(21-13)17-14(19)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,16,17,19)
InChIKeyQQRMUPAXUCADDN-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.59
Rot. Bonds5

About N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 23144378) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID23144378
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCC(C)C(=O)c1sc(NC(=O)C2CC2)nc1-c1ccco1
InChIInChI=1S/C15H16N2O3S/c1-8(2)12(18)13-11(10-4-3-7-20-10)16-15(21-13)17-14(19)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,16,17,19)
InChIKeyQQRMUPAXUCADDN-UHFFFAOYSA-N
XLogP3.59
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 23144378) is N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is CC(C)C(=O)c1sc(NC(=O)C2CC2)nc1-c1ccco1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is QQRMUPAXUCADDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-8(2)12(18)13-11(10-4-3-7-20-10)16-15(21-13)17-14(19)9-5-6-9/h3-4,7-9H,5-6H2,1-2H3,(H,16,17,19).
What are the key properties of N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 304.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 23144378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).