N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide

C14H16N2O2S — CID 129397157

IUPACN-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide
SMILESCc1cnc([C@@H](NC(=O)c2occc2C)C2CC2)s1
InChIInChI=1S/C14H16N2O2S/c1-8-5-6-18-12(8)13(17)16-11(10-3-4-10)14-15-7-9(2)19-14/h5-7,10-11H,3-4H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyINNQDAUPKCYAHY-NSHDSACASA-N
MW276.36 g/mol
LogP3.23
Rot. Bonds4

About N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide

N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide (PubChem CID 129397157) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide
PubChem CID129397157
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide
SMILESCc1cnc([C@@H](NC(=O)c2occc2C)C2CC2)s1
InChIInChI=1S/C14H16N2O2S/c1-8-5-6-18-12(8)13(17)16-11(10-3-4-10)14-15-7-9(2)19-14/h5-7,10-11H,3-4H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyINNQDAUPKCYAHY-NSHDSACASA-N
XLogP3.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide (CID 129397157) is N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide is Cc1cnc([C@@H](NC(=O)c2occc2C)C2CC2)s1.
What is the InChIKey of N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide?
The InChIKey is INNQDAUPKCYAHY-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-8-5-6-18-12(8)13(17)16-11(10-3-4-10)14-15-7-9(2)19-14/h5-7,10-11H,3-4H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide?
N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 129397157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).