N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C20H28N3OS+ — CID 8557799

IUPACN-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(C[NH+]2CCC(C)CC2)cs1)c1ccc(C)cc1C
InChIInChI=1S/C20H27N3OS/c1-14-7-9-22(10-8-14)12-18-13-25-20(21-18)23(17(4)24)19-6-5-15(2)11-16(19)3/h5-6,11,13-14H,7-10,12H2,1-4H3/p+1
InChIKeyOGBCJWJJOBHXIO-UHFFFAOYSA-O
MW358.53 g/mol
LogP3.26
Rot. Bonds4

About N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 8557799) has the molecular formula C20H28N3OS+ and a molecular weight of 358.53 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID8557799
Molecular FormulaC20H28N3OS+
Molecular Weight358.53 g/mol
Exact Mass358.19
IUPAC NameN-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(C[NH+]2CCC(C)CC2)cs1)c1ccc(C)cc1C
InChIInChI=1S/C20H27N3OS/c1-14-7-9-22(10-8-14)12-18-13-25-20(21-18)23(17(4)24)19-6-5-15(2)11-16(19)3/h5-6,11,13-14H,7-10,12H2,1-4H3/p+1
InChIKeyOGBCJWJJOBHXIO-UHFFFAOYSA-O
XLogP3.26
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

4-O-[[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl] 1-O-ethyl (E)-but-2-enedioate
CID 7851559
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8910126
methyl 1-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxylate
CID 8754466
N-(2,4-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728153
N-[4-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 55578087
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-chlorobenzoate
CID 7797118
1-[[2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-carboxamide
CID 8556858
N-[4-[(4-acetyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 55579144
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 1H-pyrrole-2-carboxylate
CID 8550219
N-[4-[(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 55753620
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-methyl-6-nitrobenzoate
CID 33353092
N-(2,4-dimethylphenyl)-N-[4-[(2-methoxy-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 38897729

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 8557799) is N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(C[NH+]2CCC(C)CC2)cs1)c1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OGBCJWJJOBHXIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27N3OS/c1-14-7-9-22(10-8-14)12-18-13-25-20(21-18)23(17(4)24)19-6-5-15(2)11-16(19)3/h5-6,11,13-14H,7-10,12H2,1-4H3/p+1.
What are the key properties of N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 358.53 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 8557799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).