N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

C13H14N2O2S — CID 4003372

IUPACN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccccc2OC)cs1
InChIInChI=1S/C13H14N2O2S/c1-3-12(16)15-13-14-10(8-18-13)9-6-4-5-7-11(9)17-2/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeySLCPQWVKVPMNPK-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.17
Rot. Bonds4

About N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 4003372) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID4003372
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccccc2OC)cs1
InChIInChI=1S/C13H14N2O2S/c1-3-12(16)15-13-14-10(8-18-13)9-6-4-5-7-11(9)17-2/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeySLCPQWVKVPMNPK-UHFFFAOYSA-N
XLogP3.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119713306
2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 12689382
2-(2,6-dichlorophenyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 171145197
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 39218983
2-(2-tert-butylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217769
2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19226274
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155557257
2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 119713341
2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19218037
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 52586012

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 4003372) is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(-c2ccccc2OC)cs1.
What is the InChIKey of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is SLCPQWVKVPMNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-12(16)15-13-14-10(8-18-13)9-6-4-5-7-11(9)17-2/h4-8H,3H2,1-2H3,(H,14,15,16).
What are the key properties of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 262.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 4003372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).