2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide

C21H23N3O2S — CID 1444776

IUPAC2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(CC(=O)N(c2nnc(-c3ccccc3C)s2)C(C)C)c1
InChIInChI=1S/C21H23N3O2S/c1-14(2)24(19(25)13-16-9-7-10-17(12-16)26-4)21-23-22-20(27-21)18-11-6-5-8-15(18)3/h5-12,14H,13H2,1-4H3
InChIKeyXHMYKOMTPORDNX-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.51
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide

2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide (PubChem CID 1444776) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide
PubChem CID1444776
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(CC(=O)N(c2nnc(-c3ccccc3C)s2)C(C)C)c1
InChIInChI=1S/C21H23N3O2S/c1-14(2)24(19(25)13-16-9-7-10-17(12-16)26-4)21-23-22-20(27-21)18-11-6-5-8-15(18)3/h5-12,14H,13H2,1-4H3
InChIKeyXHMYKOMTPORDNX-UHFFFAOYSA-N
XLogP4.51
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 5082553
N-(1-hydroxypropan-2-yl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 113337596
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840
2-(3-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054231
2-(3-methoxyphenyl)sulfanyl-N-(2-methylphenyl)-N-propan-2-ylacetamide
CID 86893364
1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone
CID 81156989
1-(3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66093415
2-(3-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 110723395
anthracene-9,10-dione;methyl 2-(2,6-dimethyl-N-(2-phenylacetyl)anilino)propanoate
CID 70355149
3-methoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzamide
CID 90546993
2-(3-methoxyphenyl)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]acetamide
CID 96550306
N-(2-methoxyethyl)-4-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230573

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide (CID 1444776) is 2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide is COc1cccc(CC(=O)N(c2nnc(-c3ccccc3C)s2)C(C)C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide?
The InChIKey is XHMYKOMTPORDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14(2)24(19(25)13-16-9-7-10-17(12-16)26-4)21-23-22-20(27-21)18-11-6-5-8-15(18)3/h5-12,14H,13H2,1-4H3.
What are the key properties of 2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide?
2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide has a molecular weight of 381.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 1444776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).