2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide

C11H18N4OS — CID 122563715

IUPAC2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)NCCC2CCCCN2)s1
InChIInChI=1S/C11H18N4OS/c12-11-15-7-9(17-11)10(16)14-6-4-8-3-1-2-5-13-8/h7-8,13H,1-6H2,(H2,12,15)(H,14,16)
InChIKeyYLCXBLBDUXJSSY-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.99
Rot. Bonds4

About 2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide

2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 122563715) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID122563715
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)NCCC2CCCCN2)s1
InChIInChI=1S/C11H18N4OS/c12-11-15-7-9(17-11)10(16)14-6-4-8-3-1-2-5-13-8/h7-8,13H,1-6H2,(H2,12,15)(H,14,16)
InChIKeyYLCXBLBDUXJSSY-UHFFFAOYSA-N
XLogP0.99
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide (CID 122563715) is 2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide is Nc1ncc(C(=O)NCCC2CCCCN2)s1.
What is the InChIKey of 2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YLCXBLBDUXJSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c12-11-15-7-9(17-11)10(16)14-6-4-8-3-1-2-5-13-8/h7-8,13H,1-6H2,(H2,12,15)(H,14,16).
What are the key properties of 2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide?
2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-piperidin-2-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122563715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).