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

C14H17N3O2S — CID 91841846

IUPAC5-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN(Cc2nccs2)C2CC2)o1
InChIInChI=1S/C14H17N3O2S/c1-15-14(18)12-5-4-11(19-12)8-17(10-2-3-10)9-13-16-6-7-20-13/h4-7,10H,2-3,8-9H2,1H3,(H,15,18)
InChIKeyYHYKQJOUXKYTON-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.26
Rot. Bonds6

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

5-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methylfuran-2-carboxamide (PubChem CID 91841846) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methylfuran-2-carboxamide
PubChem CID91841846
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN(Cc2nccs2)C2CC2)o1
InChIInChI=1S/C14H17N3O2S/c1-15-14(18)12-5-4-11(19-12)8-17(10-2-3-10)9-13-16-6-7-20-13/h4-7,10H,2-3,8-9H2,1H3,(H,15,18)
InChIKeyYHYKQJOUXKYTON-UHFFFAOYSA-N
XLogP2.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methylfuran-2-carboxamide (CID 91841846) is 5-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methylfuran-2-carboxamide is CNC(=O)c1ccc(CN(Cc2nccs2)C2CC2)o1.
What is the InChIKey of 5-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is YHYKQJOUXKYTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-15-14(18)12-5-4-11(19-12)8-17(10-2-3-10)9-13-16-6-7-20-13/h4-7,10H,2-3,8-9H2,1H3,(H,15,18).
What are the key properties of 5-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methylfuran-2-carboxamide?
5-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(1,3-thiazol-2-ylmethyl)amino]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 91841846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).