2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

C10H15N3OS — CID 68881882

IUPAC2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCC(c2ncc(C(N)=O)s2)CC1
InChIInChI=1S/C10H15N3OS/c1-13-4-2-7(3-5-13)10-12-6-8(15-10)9(11)14/h6-7H,2-5H2,1H3,(H2,11,14)
InChIKeyGLTIWHIPHRORQS-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.05
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide

2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 68881882) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID68881882
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCC(c2ncc(C(N)=O)s2)CC1
InChIInChI=1S/C10H15N3OS/c1-13-4-2-7(3-5-13)10-12-6-8(15-10)9(11)14/h6-7H,2-5H2,1H3,(H2,11,14)
InChIKeyGLTIWHIPHRORQS-UHFFFAOYSA-N
XLogP1.05
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide (CID 68881882) is 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is CN1CCC(c2ncc(C(N)=O)s2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is GLTIWHIPHRORQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-13-4-2-7(3-5-13)10-12-6-8(15-10)9(11)14/h6-7H,2-5H2,1H3,(H2,11,14).
What are the key properties of 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide?
2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 68881882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).