N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide

C20H27N3OS — CID 78843645

IUPACN-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN(C)C(C)C2CC2)cs1
InChIInChI=1S/C20H27N3OS/c1-5-16-8-6-7-9-19(16)23(15(3)24)20-21-18(13-25-20)12-22(4)14(2)17-10-11-17/h6-9,13-14,17H,5,10-12H2,1-4H3
InChIKeyXFAPDRSNDIISDM-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.62
Rot. Bonds7

About N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide

N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 78843645) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
PubChem CID78843645
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN(C)C(C)C2CC2)cs1
InChIInChI=1S/C20H27N3OS/c1-5-16-8-6-7-9-19(16)23(15(3)24)20-21-18(13-25-20)12-22(4)14(2)17-10-11-17/h6-9,13-14,17H,5,10-12H2,1-4H3
InChIKeyXFAPDRSNDIISDM-UHFFFAOYSA-N
XLogP4.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[benzyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78823715
N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822809
N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822480
2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 78818462
N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78817352
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636274
N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78818770
N-[4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78815351
N-[4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78817704
N-(2-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78817692
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate
CID 7969107
N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78733668

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide (CID 78843645) is N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1N(C(C)=O)c1nc(CN(C)C(C)C2CC2)cs1.
What is the InChIKey of N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is XFAPDRSNDIISDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-5-16-8-6-7-9-19(16)23(15(3)24)20-21-18(13-25-20)12-22(4)14(2)17-10-11-17/h6-9,13-14,17H,5,10-12H2,1-4H3.
What are the key properties of N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 357.52 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 78843645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).