N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide

C17H22N4O2S — CID 3471937

IUPACN-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide
SMILESCCCCC(=O)NCCC(=O)Nc1nnc(-c2cccc(C)c2)s1
InChIInChI=1S/C17H22N4O2S/c1-3-4-8-14(22)18-10-9-15(23)19-17-21-20-16(24-17)13-7-5-6-12(2)11-13/h5-7,11H,3-4,8-10H2,1-2H3,(H,18,22)(H,19,21,23)
InChIKeyHFKMRNLWRCKQFL-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.15
Rot. Bonds8

About N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide

N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide (PubChem CID 3471937) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide.

Molecular Properties

Compound NameN-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide
PubChem CID3471937
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide
SMILESCCCCC(=O)NCCC(=O)Nc1nnc(-c2cccc(C)c2)s1
InChIInChI=1S/C17H22N4O2S/c1-3-4-8-14(22)18-10-9-15(23)19-17-21-20-16(24-17)13-7-5-6-12(2)11-13/h5-7,11H,3-4,8-10H2,1-2H3,(H,18,22)(H,19,21,23)
InChIKeyHFKMRNLWRCKQFL-UHFFFAOYSA-N
XLogP3.15
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]heptanamide
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N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-(naphthalen-1-ylsulfonylamino)propanamide
CID 5068398
ethyl 2-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 7163724
(2R)-2-ethyl-N-[2-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
CID 24893524
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
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2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 4117288
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 82176867
(2R,3S)-2-(3-chloropropanoylamino)-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 7237038
3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119325693
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide?
The IUPAC name of N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide (CID 3471937) is N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide.
What is the SMILES notation for N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide?
The canonical SMILES for N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide is CCCCC(=O)NCCC(=O)Nc1nnc(-c2cccc(C)c2)s1.
What is the InChIKey of N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide?
The InChIKey is HFKMRNLWRCKQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-3-4-8-14(22)18-10-9-15(23)19-17-21-20-16(24-17)13-7-5-6-12(2)11-13/h5-7,11H,3-4,8-10H2,1-2H3,(H,18,22)(H,19,21,23).
What are the key properties of N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide?
N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide has a molecular weight of 346.46 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]pentanamide is sourced from PubChem (CID 3471937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).