3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

C17H22N4O2S — CID 51315681

IUPAC3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1nnc(C(C)C)s1)c1ccc(C)cc1
InChIInChI=1S/C17H22N4O2S/c1-10(2)16-20-21-17(24-16)19-15(23)9-14(18-12(4)22)13-7-5-11(3)6-8-13/h5-8,10,14H,9H2,1-4H3,(H,18,22)(H,19,21,23)
InChIKeyNQVPVHFJAMBGLQ-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.18
Rot. Bonds6

About 3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 51315681) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID51315681
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1nnc(C(C)C)s1)c1ccc(C)cc1
InChIInChI=1S/C17H22N4O2S/c1-10(2)16-20-21-17(24-16)19-15(23)9-14(18-12(4)22)13-7-5-11(3)6-8-13/h5-8,10,14H,9H2,1-4H3,(H,18,22)(H,19,21,23)
InChIKeyNQVPVHFJAMBGLQ-UHFFFAOYSA-N
XLogP3.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 51309529
methyl 2-[2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 46432778
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
3-acetamido-3-(4-methoxyphenyl)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 134011351
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-acetamido-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 24598681
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699
(3R)-3-acetamido-N-[(1R)-1-cyclopropylethyl]-3-(4-methylphenyl)propanamide
CID 30796495
2-[4-(4-methylphenyl)phenoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19170983

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 51315681) is 3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide is CC(=O)NC(CC(=O)Nc1nnc(C(C)C)s1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is NQVPVHFJAMBGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10(2)16-20-21-17(24-16)19-15(23)9-14(18-12(4)22)13-7-5-11(3)6-8-13/h5-8,10,14H,9H2,1-4H3,(H,18,22)(H,19,21,23).
What are the key properties of 3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide?
3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 346.46 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 51315681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).