2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide

C15H19N3O3S — CID 38416914

IUPAC2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCCN3CCOCC3)cs2)o1
InChIInChI=1S/C15H19N3O3S/c1-11-2-3-13(21-11)15-17-12(10-22-15)14(19)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H,16,19)
InChIKeyNTNNDDDFVNGTLJ-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.77
Rot. Bonds5

About 2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide

2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 38416914) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID38416914
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCCN3CCOCC3)cs2)o1
InChIInChI=1S/C15H19N3O3S/c1-11-2-3-13(21-11)15-17-12(10-22-15)14(19)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H,16,19)
InChIKeyNTNNDDDFVNGTLJ-UHFFFAOYSA-N
XLogP1.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide (CID 38416914) is 2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NCCN3CCOCC3)cs2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NTNNDDDFVNGTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-2-3-13(21-11)15-17-12(10-22-15)14(19)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H,16,19).
What are the key properties of 2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide?
2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38416914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).