2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C12H16F3N3OS — CID 108767892

IUPAC2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC1CCCCN1Cc1cnc(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C12H16F3N3OS/c1-8-4-2-3-5-18(8)7-9-6-16-11(20-9)17-10(19)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,17,19)
InChIKeyUJDYLPTZIPGQOG-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.02
Rot. Bonds3

About 2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 108767892) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID108767892
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC Name2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC1CCCCN1Cc1cnc(NC(=O)C(F)(F)F)s1
InChIInChI=1S/C12H16F3N3OS/c1-8-4-2-3-5-18(8)7-9-6-16-11(20-9)17-10(19)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,17,19)
InChIKeyUJDYLPTZIPGQOG-UHFFFAOYSA-N
XLogP3.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-cyclohexylacetamide
CID 163368465
N-[5-(1-piperidinylmethyl)-1,3-thiazol-2-yl]acetamide
CID 314318
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 163368446
N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
CID 856406
Methyl 5-(1-piperidinylmethyl)-1,3-thiazol-2-ylcarbamate
CID 822777
N-{5-[(4-methylpiperidyl)methyl]-1,3-thiazol-2-yl}acetamide
CID 671270
N-(5-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 45824857
N-(5-(piperazin-1-ylmethyl)thiazol-2-yl)acetamide
CID 60175141
1-Cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]urea
CID 57883537
1-(4-Methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]urea
CID 57883746
1-(4-Methylcyclohexyl)-3-(5-methyl-1,3-thiazol-2-yl)-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea
CID 57883973
Tert-butyl-[[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-5-yl]methyl]carbamic acid
CID 87871120

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 108767892) is 2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC1CCCCN1Cc1cnc(NC(=O)C(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is UJDYLPTZIPGQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3OS/c1-8-4-2-3-5-18(8)7-9-6-16-11(20-9)17-10(19)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,17,19).
What are the key properties of 2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 307.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 108767892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).