N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide

C16H18N2O2S — CID 86871760

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide
SMILESO=C(COCCc1ccccc1)Nc1nc(C2CC2)cs1
InChIInChI=1S/C16H18N2O2S/c19-15(10-20-9-8-12-4-2-1-3-5-12)18-16-17-14(11-21-16)13-6-7-13/h1-5,11,13H,6-10H2,(H,17,18,19)
InChIKeyYOMSREPUGXHQTO-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.22
Rot. Bonds7

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide (PubChem CID 86871760) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide
PubChem CID86871760
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide
SMILESO=C(COCCc1ccccc1)Nc1nc(C2CC2)cs1
InChIInChI=1S/C16H18N2O2S/c19-15(10-20-9-8-12-4-2-1-3-5-12)18-16-17-14(11-21-16)13-6-7-13/h1-5,11,13H,6-10H2,(H,17,18,19)
InChIKeyYOMSREPUGXHQTO-UHFFFAOYSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenylethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 86871832
2-(4-benzylphenoxy)-N-(4-cyclohexyl-1,3-thiazol-2-yl)acetamide
CID 23789774
2-cyclopentyloxy-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 47243063
2-(2-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 32863339
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 32865071
2-benzyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32865615
3-(2-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 32868458
1-benzyl-3-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxyethyl)urea
CID 110896761
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 33302254
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 32865339
N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]propanamide
CID 56782412
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 32868601

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide (CID 86871760) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide is O=C(COCCc1ccccc1)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide?
The InChIKey is YOMSREPUGXHQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-15(10-20-9-8-12-4-2-1-3-5-12)18-16-17-14(11-21-16)13-6-7-13/h1-5,11,13H,6-10H2,(H,17,18,19).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide has a molecular weight of 302.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(2-phenylethoxy)acetamide is sourced from PubChem (CID 86871760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).