N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide

C13H21N3OS — CID 63281136

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide
SMILESCc1ncsc1CNC(=O)CCC1CCCNC1
InChIInChI=1S/C13H21N3OS/c1-10-12(18-9-16-10)8-15-13(17)5-4-11-3-2-6-14-7-11/h9,11,14H,2-8H2,1H3,(H,15,17)
InChIKeyPNLLOFZLHRCAGY-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.85
Rot. Bonds5

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide (PubChem CID 63281136) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide
PubChem CID63281136
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide
SMILESCc1ncsc1CNC(=O)CCC1CCCNC1
InChIInChI=1S/C13H21N3OS/c1-10-12(18-9-16-10)8-15-13(17)5-4-11-3-2-6-14-7-11/h9,11,14H,2-8H2,1H3,(H,15,17)
InChIKeyPNLLOFZLHRCAGY-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide (CID 63281136) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide is Cc1ncsc1CNC(=O)CCC1CCCNC1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide?
The InChIKey is PNLLOFZLHRCAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-12(18-9-16-10)8-15-13(17)5-4-11-3-2-6-14-7-11/h9,11,14H,2-8H2,1H3,(H,15,17).
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide has a molecular weight of 267.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylpropanamide is sourced from PubChem (CID 63281136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).