2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide

C13H19N5O2S — CID 24939060

IUPAC2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1nc(C)c(C(=O)N/N=C/N2CCCCC2)s1
InChIInChI=1S/C13H19N5O2S/c1-9-11(21-13(15-9)16-10(2)19)12(20)17-14-8-18-6-4-3-5-7-18/h8H,3-7H2,1-2H3,(H,17,20)(H,15,16,19)/b14-8+
InChIKeyYHKUVRGJOJNQTM-RIYZIHGNSA-N
MW309.40 g/mol
LogP1.57
Rot. Bonds4

About 2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide

2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide (PubChem CID 24939060) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide
PubChem CID24939060
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1nc(C)c(C(=O)N/N=C/N2CCCCC2)s1
InChIInChI=1S/C13H19N5O2S/c1-9-11(21-13(15-9)16-10(2)19)12(20)17-14-8-18-6-4-3-5-7-18/h8H,3-7H2,1-2H3,(H,17,20)(H,15,16,19)/b14-8+
InChIKeyYHKUVRGJOJNQTM-RIYZIHGNSA-N
XLogP1.57
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide (CID 24939060) is 2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide is CC(=O)Nc1nc(C)c(C(=O)N/N=C/N2CCCCC2)s1.
What is the InChIKey of 2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide?
The InChIKey is YHKUVRGJOJNQTM-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-11(21-13(15-9)16-10(2)19)12(20)17-14-8-18-6-4-3-5-7-18/h8H,3-7H2,1-2H3,(H,17,20)(H,15,16,19)/b14-8+.
What are the key properties of 2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide?
2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide has a molecular weight of 309.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-methyl-N-[(E)-piperidin-1-ylmethylideneamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24939060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).