2-piperidin-3-yl-1,3-thiazole-5-carboxamide

C9H13N3OS — CID 91001007

IUPAC2-piperidin-3-yl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(C2CCCNC2)s1
InChIInChI=1S/C9H13N3OS/c10-8(13)7-5-12-9(14-7)6-2-1-3-11-4-6/h5-6,11H,1-4H2,(H2,10,13)
InChIKeyHMYPKLYGKWYSIL-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.71
Rot. Bonds2

About 2-piperidin-3-yl-1,3-thiazole-5-carboxamide

2-piperidin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 91001007) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-piperidin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-piperidin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID91001007
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-piperidin-3-yl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(C2CCCNC2)s1
InChIInChI=1S/C9H13N3OS/c10-8(13)7-5-12-9(14-7)6-2-1-3-11-4-6/h5-6,11H,1-4H2,(H2,10,13)
InChIKeyHMYPKLYGKWYSIL-UHFFFAOYSA-N
XLogP0.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-piperidin-3-yl-1,3-thiazole-5-carboxamide (CID 91001007) is 2-piperidin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-piperidin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-piperidin-3-yl-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(C2CCCNC2)s1.
What is the InChIKey of 2-piperidin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is HMYPKLYGKWYSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-8(13)7-5-12-9(14-7)6-2-1-3-11-4-6/h5-6,11H,1-4H2,(H2,10,13).
What are the key properties of 2-piperidin-3-yl-1,3-thiazole-5-carboxamide?
2-piperidin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91001007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).