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

C17H29N3OS — CID 72873495

IUPACN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCCc1csc(CCNC(=O)CC2CCN(C(C)C)CC2)n1
InChIInChI=1S/C17H29N3OS/c1-4-15-12-22-17(19-15)5-8-18-16(21)11-14-6-9-20(10-7-14)13(2)3/h12-14H,4-11H2,1-3H3,(H,18,21)
InChIKeyGCPSDTPAFRASGU-UHFFFAOYSA-N
MW323.51 g/mol
LogP2.87
Rot. Bonds7

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

N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 72873495) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID72873495
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC NameN-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCCc1csc(CCNC(=O)CC2CCN(C(C)C)CC2)n1
InChIInChI=1S/C17H29N3OS/c1-4-15-12-22-17(19-15)5-8-18-16(21)11-14-6-9-20(10-7-14)13(2)3/h12-14H,4-11H2,1-3H3,(H,18,21)
InChIKeyGCPSDTPAFRASGU-UHFFFAOYSA-N
XLogP2.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 72873495) is N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is CCc1csc(CCNC(=O)CC2CCN(C(C)C)CC2)n1.
What is the InChIKey of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is GCPSDTPAFRASGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-4-15-12-22-17(19-15)5-8-18-16(21)11-14-6-9-20(10-7-14)13(2)3/h12-14H,4-11H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 323.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72873495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).