4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide

C15H23N3O2S — CID 175137875

IUPAC4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)Cc1sc(C(N)=O)nc1C(=O)N1CCCCC1C
InChIInChI=1S/C15H23N3O2S/c1-9(2)8-11-12(17-14(21-11)13(16)19)15(20)18-7-5-4-6-10(18)3/h9-10H,4-8H2,1-3H3,(H2,16,19)
InChIKeyIBRNJUFXZPJQME-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.46
Rot. Bonds4

About 4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide

4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide (PubChem CID 175137875) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide
PubChem CID175137875
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)Cc1sc(C(N)=O)nc1C(=O)N1CCCCC1C
InChIInChI=1S/C15H23N3O2S/c1-9(2)8-11-12(17-14(21-11)13(16)19)15(20)18-7-5-4-6-10(18)3/h9-10H,4-8H2,1-3H3,(H2,16,19)
InChIKeyIBRNJUFXZPJQME-UHFFFAOYSA-N
XLogP2.46
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide (CID 175137875) is 4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide is CC(C)Cc1sc(C(N)=O)nc1C(=O)N1CCCCC1C.
What is the InChIKey of 4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide?
The InChIKey is IBRNJUFXZPJQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-9(2)8-11-12(17-14(21-11)13(16)19)15(20)18-7-5-4-6-10(18)3/h9-10H,4-8H2,1-3H3,(H2,16,19).
What are the key properties of 4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide?
4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidine-1-carbonyl)-5-(2-methylpropyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 175137875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).