2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C23H31N3OS — CID 56570887

IUPAC2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCCC1CCC(N(CC(=O)NC(c2ccccc2)c2nccs2)C2CC2)CC1
InChIInChI=1S/C23H31N3OS/c1-2-17-8-10-19(11-9-17)26(20-12-13-20)16-21(27)25-22(23-24-14-15-28-23)18-6-4-3-5-7-18/h3-7,14-15,17,19-20,22H,2,8-13,16H2,1H3,(H,25,27)
InChIKeyMGBWMSMSWOMWFK-UHFFFAOYSA-N
MW397.59 g/mol
LogP4.78
Rot. Bonds8

About 2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56570887) has the molecular formula C23H31N3OS and a molecular weight of 397.59 g/mol. Its IUPAC name is 2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID56570887
Molecular FormulaC23H31N3OS
Molecular Weight397.59 g/mol
Exact Mass397.22
IUPAC Name2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESCCC1CCC(N(CC(=O)NC(c2ccccc2)c2nccs2)C2CC2)CC1
InChIInChI=1S/C23H31N3OS/c1-2-17-8-10-19(11-9-17)26(20-12-13-20)16-21(27)25-22(23-24-14-15-28-23)18-6-4-3-5-7-18/h3-7,14-15,17,19-20,22H,2,8-13,16H2,1H3,(H,25,27)
InChIKeyMGBWMSMSWOMWFK-UHFFFAOYSA-N
XLogP4.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]-N-[(R)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 98854382
2-[methyl-[2-oxo-2-[[phenyl(1,3-thiazol-2-yl)methyl]amino]ethyl]amino]propanoic acid
CID 119913156
2-(N-ethyl-2,4-dimethylanilino)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56571116
2-(4-methoxypiperidin-1-yl)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 95142220
2-[2-aminoethyl(2-phenylethyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 120872071
2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56571196
2-[(4-methoxy-3,5-dimethylphenyl)methyl-methylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56570966
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541056
2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541158
2-(4-phenylmethoxypiperidin-1-yl)-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541033
(2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine
CID 124570142
2-[(3S,4R)-3,4-dimethoxy-3-methylpiperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 166324263

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56570887) is 2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is CCC1CCC(N(CC(=O)NC(c2ccccc2)c2nccs2)C2CC2)CC1.
What is the InChIKey of 2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is MGBWMSMSWOMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3OS/c1-2-17-8-10-19(11-9-17)26(20-12-13-20)16-21(27)25-22(23-24-14-15-28-23)18-6-4-3-5-7-18/h3-7,14-15,17,19-20,22H,2,8-13,16H2,1H3,(H,25,27).
What are the key properties of 2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 397.59 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56570887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).