N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide

C16H20N4OS — CID 120998273

IUPACN-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide
SMILESCC(C(=O)Nc1ncc(C2CCNCC2)s1)c1cccnc1
InChIInChI=1S/C16H20N4OS/c1-11(13-3-2-6-18-9-13)15(21)20-16-19-10-14(22-16)12-4-7-17-8-5-12/h2-3,6,9-12,17H,4-5,7-8H2,1H3,(H,19,20,21)
InChIKeyXFEDSJNIMBGIJZ-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.75
Rot. Bonds4

About N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide

N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide (PubChem CID 120998273) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide
PubChem CID120998273
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide
SMILESCC(C(=O)Nc1ncc(C2CCNCC2)s1)c1cccnc1
InChIInChI=1S/C16H20N4OS/c1-11(13-3-2-6-18-9-13)15(21)20-16-19-10-14(22-16)12-4-7-17-8-5-12/h2-3,6,9-12,17H,4-5,7-8H2,1H3,(H,19,20,21)
InChIKeyXFEDSJNIMBGIJZ-UHFFFAOYSA-N
XLogP2.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide?
The IUPAC name of N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide (CID 120998273) is N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide.
What is the SMILES notation for N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide?
The canonical SMILES for N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide is CC(C(=O)Nc1ncc(C2CCNCC2)s1)c1cccnc1.
What is the InChIKey of N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide?
The InChIKey is XFEDSJNIMBGIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11(13-3-2-6-18-9-13)15(21)20-16-19-10-14(22-16)12-4-7-17-8-5-12/h2-3,6,9-12,17H,4-5,7-8H2,1H3,(H,19,20,21).
What are the key properties of N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide?
N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide has a molecular weight of 316.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-2-pyridin-3-ylpropanamide is sourced from PubChem (CID 120998273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).