N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide

C19H26N4O3S — CID 7327009

IUPACN-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide
SMILESCCCCCCC(=O)N[C@H](C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C19H26N4O3S/c1-4-5-6-7-8-16(24)20-13(2)17(25)21-19-23-22-18(27-19)14-9-11-15(26-3)12-10-14/h9-13H,4-8H2,1-3H3,(H,20,24)(H,21,23,25)/t13-/m1/s1
InChIKeyONKTXANACYINTA-CYBMUJFWSA-N
MW390.51 g/mol
LogP3.63
Rot. Bonds10

About N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide

N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide (PubChem CID 7327009) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide.

Molecular Properties

Compound NameN-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide
PubChem CID7327009
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide
SMILESCCCCCCC(=O)N[C@H](C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C19H26N4O3S/c1-4-5-6-7-8-16(24)20-13(2)17(25)21-19-23-22-18(27-19)14-9-11-15(26-3)12-10-14/h9-13H,4-8H2,1-3H3,(H,20,24)(H,21,23,25)/t13-/m1/s1
InChIKeyONKTXANACYINTA-CYBMUJFWSA-N
XLogP3.63
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,3R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]octanamide
CID 98396041
(2R)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(3-phenylpropanoylamino)propanamide
CID 7365277
N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide
CID 4609382
N-[(2S,3R)-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopentan-2-yl]heptanamide
CID 7283084
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenoxyacetyl)amino]propanamide
CID 46121758
(3R)-N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-3,5,5-trimethylhexanamide
CID 7356329
N-butan-2-yl-N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]octanamide
CID 4285184
N-[1-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]nonanamide
CID 5033038
N-[1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]octanamide
CID 4679515
N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]heptanamide
CID 5236860
N-[(2S)-1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]heptanamide
CID 93100254
N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]nonanamide
CID 4122363

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide?
The IUPAC name of N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide (CID 7327009) is N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide.
What is the SMILES notation for N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide?
The canonical SMILES for N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide is CCCCCCC(=O)N[C@H](C)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide?
The InChIKey is ONKTXANACYINTA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-4-5-6-7-8-16(24)20-13(2)17(25)21-19-23-22-18(27-19)14-9-11-15(26-3)12-10-14/h9-13H,4-8H2,1-3H3,(H,20,24)(H,21,23,25)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide?
N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide has a molecular weight of 390.51 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]heptanamide is sourced from PubChem (CID 7327009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).