N-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide

C15H23N3OS — CID 50965740

IUPACN-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
SMILESCCc1nc(C)sc1CN1CCC=C(CNC(C)=O)C1
InChIInChI=1S/C15H23N3OS/c1-4-14-15(20-12(3)17-14)10-18-7-5-6-13(9-18)8-16-11(2)19/h6H,4-5,7-10H2,1-3H3,(H,16,19)
InChIKeyBXRWPWXSPPWQFH-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.28
Rot. Bonds5

About N-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide

N-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide (PubChem CID 50965740) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
PubChem CID50965740
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
SMILESCCc1nc(C)sc1CN1CCC=C(CNC(C)=O)C1
InChIInChI=1S/C15H23N3OS/c1-4-14-15(20-12(3)17-14)10-18-7-5-6-13(9-18)8-16-11(2)19/h6H,4-5,7-10H2,1-3H3,(H,16,19)
InChIKeyBXRWPWXSPPWQFH-UHFFFAOYSA-N
XLogP2.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide (CID 50965740) is N-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide is CCc1nc(C)sc1CN1CCC=C(CNC(C)=O)C1.
What is the InChIKey of N-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The InChIKey is BXRWPWXSPPWQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-4-14-15(20-12(3)17-14)10-18-7-5-6-13(9-18)8-16-11(2)19/h6H,4-5,7-10H2,1-3H3,(H,16,19).
What are the key properties of N-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
N-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide has a molecular weight of 293.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide is sourced from PubChem (CID 50965740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).