N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide

C16H18N2O2S — CID 110718267

IUPACN-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
SMILESCc1nc(CN(C(=O)COc2ccccc2)C2CC2)cs1
InChIInChI=1S/C16H18N2O2S/c1-12-17-13(11-21-12)9-18(14-7-8-14)16(19)10-20-15-5-3-2-4-6-15/h2-6,11,14H,7-10H2,1H3
InChIKeyYOXNJJFKEPMXSR-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.02
Rot. Bonds6

About N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide

N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide (PubChem CID 110718267) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
PubChem CID110718267
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
SMILESCc1nc(CN(C(=O)COc2ccccc2)C2CC2)cs1
InChIInChI=1S/C16H18N2O2S/c1-12-17-13(11-21-12)9-18(14-7-8-14)16(19)10-20-15-5-3-2-4-6-15/h2-6,11,14H,7-10H2,1H3
InChIKeyYOXNJJFKEPMXSR-UHFFFAOYSA-N
XLogP3.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718307
N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718310
N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855941
2-(4-fluorophenoxy)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718196
N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide
CID 110718285
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488
1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
CID 110747823
1-cyclopropyl-3-(2,2-dimethylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 110747826
2-(4-benzoylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 9202236
N-cyclopropyl-2,3,4-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718279
2-[cyclopropyl-(2-phenoxyacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4052985
N-(3-aminopropyl)-N-cyclopropyl-2-phenoxyacetamide
CID 43136742

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide (CID 110718267) is N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide is Cc1nc(CN(C(=O)COc2ccccc2)C2CC2)cs1.
What is the InChIKey of N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide?
The InChIKey is YOXNJJFKEPMXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-17-13(11-21-12)9-18(14-7-8-14)16(19)10-20-15-5-3-2-4-6-15/h2-6,11,14H,7-10H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide?
N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide has a molecular weight of 302.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 110718267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).