2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide

C15H23N3OS — CID 108726679

IUPAC2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1nc(C)c(CN2CCC(C)CC2)s1
InChIInChI=1S/C15H23N3OS/c1-10(2)14(19)17-15-16-12(4)13(20-15)9-18-7-5-11(3)6-8-18/h11H,1,5-9H2,2-4H3,(H,16,17,19)
InChIKeyURYOEHSUKCNQHW-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.20
Rot. Bonds4

About 2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide

2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 108726679) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID108726679
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
SMILESC=C(C)C(=O)Nc1nc(C)c(CN2CCC(C)CC2)s1
InChIInChI=1S/C15H23N3OS/c1-10(2)14(19)17-15-16-12(4)13(20-15)9-18-7-5-11(3)6-8-18/h11H,1,5-9H2,2-4H3,(H,16,17,19)
InChIKeyURYOEHSUKCNQHW-UHFFFAOYSA-N
XLogP3.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 108726673
2,2-dimethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 108726727
(2E,4E)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]hexa-2,4-dienamide
CID 108726683
2-(1-adamantyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108750801
2-(4-bromophenyl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108726788
3,5-dimethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108750792
(E)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 108750838
N-(4-fluorophenyl)-N'-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanediamide
CID 108750827
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 108726775
3,4,5-triethoxy-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108750793
N-[4-methyl-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1338962
2-chloro-6-fluoro-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108726723

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide (CID 108726679) is 2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is C=C(C)C(=O)Nc1nc(C)c(CN2CCC(C)CC2)s1.
What is the InChIKey of 2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is URYOEHSUKCNQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10(2)14(19)17-15-16-12(4)13(20-15)9-18-7-5-11(3)6-8-18/h11H,1,5-9H2,2-4H3,(H,16,17,19).
What are the key properties of 2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide?
2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 293.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 108726679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).