2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide

C14H18N4OS — CID 82546736

IUPAC2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
SMILESCCc1nnc(NC(=O)C(C)(C)c2ccc(N)cc2)s1
InChIInChI=1S/C14H18N4OS/c1-4-11-17-18-13(20-11)16-12(19)14(2,3)9-5-7-10(15)8-6-9/h5-8H,4,15H2,1-3H3,(H,16,18,19)
InChIKeyZABNGLAUNNSFJS-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.60
Rot. Bonds4

About 2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide

2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide (PubChem CID 82546736) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
PubChem CID82546736
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide
SMILESCCc1nnc(NC(=O)C(C)(C)c2ccc(N)cc2)s1
InChIInChI=1S/C14H18N4OS/c1-4-11-17-18-13(20-11)16-12(19)14(2,3)9-5-7-10(15)8-6-9/h5-8H,4,15H2,1-3H3,(H,16,18,19)
InChIKeyZABNGLAUNNSFJS-UHFFFAOYSA-N
XLogP2.60
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
2-methyl-N-[5-[4-[5-[(2-methyl-2-phenylpropanoyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylpropanamide
CID 90165486
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110439612
2-(4-aminophenyl)-2-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 110451761
(Z)-3-(4-tert-butylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 2166001
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 110024954
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 103733154
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
CID 103827482
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
CID 47099211
N-[5-(4-aminophenyl)-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 82176853
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 107641312
2-amino-2-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119270517

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide (CID 82546736) is 2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide is CCc1nnc(NC(=O)C(C)(C)c2ccc(N)cc2)s1.
What is the InChIKey of 2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
The InChIKey is ZABNGLAUNNSFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-11-17-18-13(20-11)16-12(19)14(2,3)9-5-7-10(15)8-6-9/h5-8H,4,15H2,1-3H3,(H,16,18,19).
What are the key properties of 2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide has a molecular weight of 290.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 82546736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).