N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C19H26N4OS — CID 51128225

IUPACN-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)N1CCCC(CNC(=O)Cc2csc(-c3cccnc3)n2)C1
InChIInChI=1S/C19H26N4OS/c1-14(2)23-8-4-5-15(12-23)10-21-18(24)9-17-13-25-19(22-17)16-6-3-7-20-11-16/h3,6-7,11,13-15H,4-5,8-10,12H2,1-2H3,(H,21,24)
InChIKeyLFRNLKKWUOQPKO-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.98
Rot. Bonds6

About N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 51128225) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID51128225
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)N1CCCC(CNC(=O)Cc2csc(-c3cccnc3)n2)C1
InChIInChI=1S/C19H26N4OS/c1-14(2)23-8-4-5-15(12-23)10-21-18(24)9-17-13-25-19(22-17)16-6-3-7-20-11-16/h3,6-7,11,13-15H,4-5,8-10,12H2,1-2H3,(H,21,24)
InChIKeyLFRNLKKWUOQPKO-UHFFFAOYSA-N
XLogP2.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 51128225) is N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is CC(C)N1CCCC(CNC(=O)Cc2csc(-c3cccnc3)n2)C1.
What is the InChIKey of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is LFRNLKKWUOQPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-14(2)23-8-4-5-15(12-23)10-21-18(24)9-17-13-25-19(22-17)16-6-3-7-20-11-16/h3,6-7,11,13-15H,4-5,8-10,12H2,1-2H3,(H,21,24).
What are the key properties of N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 358.51 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 51128225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).