N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide

C20H23N5OS — CID 50984930

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide
SMILESCc1ccc(NC(C)(C(=O)NCCc2nnc(N)s2)c2ccccc2)cc1
InChIInChI=1S/C20H23N5OS/c1-14-8-10-16(11-9-14)23-20(2,15-6-4-3-5-7-15)18(26)22-13-12-17-24-25-19(21)27-17/h3-11,23H,12-13H2,1-2H3,(H2,21,25)(H,22,26)
InChIKeyFCXWJDZBZKTTTE-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.11
Rot. Bonds7

About N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide (PubChem CID 50984930) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide
PubChem CID50984930
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide
SMILESCc1ccc(NC(C)(C(=O)NCCc2nnc(N)s2)c2ccccc2)cc1
InChIInChI=1S/C20H23N5OS/c1-14-8-10-16(11-9-14)23-20(2,15-6-4-3-5-7-15)18(26)22-13-12-17-24-25-19(21)27-17/h3-11,23H,12-13H2,1-2H3,(H2,21,25)(H,22,26)
InChIKeyFCXWJDZBZKTTTE-UHFFFAOYSA-N
XLogP3.11
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-hydroxy-2,2-dimethylpropyl)-2-(4-methylanilino)-2-phenylpropanamide
CID 50974721
methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669
(E)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 91790359
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]benzamide
CID 46785995
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 56721663
(3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide
CID 124844604
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(benzimidazol-1-yl)propanamide
CID 56750658
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70747598
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide
CID 92659633
2-anilino-2-(4-methylphenyl)butanamide
CID 60996158
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide
CID 92660456

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide (CID 50984930) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide is Cc1ccc(NC(C)(C(=O)NCCc2nnc(N)s2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide?
The InChIKey is FCXWJDZBZKTTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-8-10-16(11-9-14)23-20(2,15-6-4-3-5-7-15)18(26)22-13-12-17-24-25-19(21)27-17/h3-11,23H,12-13H2,1-2H3,(H2,21,25)(H,22,26).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide has a molecular weight of 381.51 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-methylanilino)-2-phenylpropanamide is sourced from PubChem (CID 50984930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).