2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide

C16H19N3O3S — CID 51079655

IUPAC2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N(C)Cc2ccc(C3CC3C)o2)cs1
InChIInChI=1S/C16H19N3O3S/c1-9-6-12(9)14-5-4-11(22-14)7-19(3)15(21)13-8-23-16(18-13)17-10(2)20/h4-5,8-9,12H,6-7H2,1-3H3,(H,17,18,20)
InChIKeyXSHOXJQKIDBFMH-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.09
Rot. Bonds5

About 2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 51079655) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID51079655
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N(C)Cc2ccc(C3CC3C)o2)cs1
InChIInChI=1S/C16H19N3O3S/c1-9-6-12(9)14-5-4-11(22-14)7-19(3)15(21)13-8-23-16(18-13)17-10(2)20/h4-5,8-9,12H,6-7H2,1-3H3,(H,17,18,20)
InChIKeyXSHOXJQKIDBFMH-UHFFFAOYSA-N
XLogP3.09
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide (CID 51079655) is 2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)N(C)Cc2ccc(C3CC3C)o2)cs1.
What is the InChIKey of 2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XSHOXJQKIDBFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-9-6-12(9)14-5-4-11(22-14)7-19(3)15(21)13-8-23-16(18-13)17-10(2)20/h4-5,8-9,12H,6-7H2,1-3H3,(H,17,18,20).
What are the key properties of 2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51079655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).