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

C16H17FN2O2S — CID 110718310

IUPACN-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CN(C(=O)COc2cccc(F)c2)C2CC2)cs1
InChIInChI=1S/C16H17FN2O2S/c1-11-18-13(10-22-11)8-19(14-5-6-14)16(20)9-21-15-4-2-3-12(17)7-15/h2-4,7,10,14H,5-6,8-9H2,1H3
InChIKeyYYRVEGRMLNVRBG-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.16
Rot. Bonds6

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

N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 110718310) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID110718310
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC NameN-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1nc(CN(C(=O)COc2cccc(F)c2)C2CC2)cs1
InChIInChI=1S/C16H17FN2O2S/c1-11-18-13(10-22-11)8-19(14-5-6-14)16(20)9-21-15-4-2-3-12(17)7-15/h2-4,7,10,14H,5-6,8-9H2,1H3
InChIKeyYYRVEGRMLNVRBG-UHFFFAOYSA-N
XLogP3.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 110718267
N-cyclopropyl-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718307
N-cyclopropyl-N-ethyl-2-(3-fluorophenoxy)acetamide
CID 60729344
2-(4-fluorophenoxy)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718196
N-cyclopropyl-2,3,4-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718279
N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855941
N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide
CID 110718285
2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 78886785
2-(3-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718186
N-benzyl-N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenoxy)acetamide
CID 42887730
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488
N-cyclopropyl-3-methyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42682443

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (CID 110718310) is N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is Cc1nc(CN(C(=O)COc2cccc(F)c2)C2CC2)cs1.
What is the InChIKey of N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is YYRVEGRMLNVRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-11-18-13(10-22-11)8-19(14-5-6-14)16(20)9-21-15-4-2-3-12(17)7-15/h2-4,7,10,14H,5-6,8-9H2,1H3.
What are the key properties of N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 110718310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).