4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide

C21H24N4OS — CID 99792709

IUPAC4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide
SMILESC[C@@H](Nc1ccc(NC(=O)c2snnc2C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H24N4OS/c1-14(15-8-6-5-7-9-15)22-16-10-12-17(13-11-16)23-20(26)18-19(21(2,3)4)24-25-27-18/h5-14,22H,1-4H3,(H,23,26)/t14-/m1/s1
InChIKeyFGBWARFNLJHKCO-CQSZACIVSA-N
MW380.52 g/mol
LogP5.26
Rot. Bonds5

About 4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide

4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide (PubChem CID 99792709) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide
PubChem CID99792709
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide
SMILESC[C@@H](Nc1ccc(NC(=O)c2snnc2C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H24N4OS/c1-14(15-8-6-5-7-9-15)22-16-10-12-17(13-11-16)23-20(26)18-19(21(2,3)4)24-25-27-18/h5-14,22H,1-4H3,(H,23,26)/t14-/m1/s1
InChIKeyFGBWARFNLJHKCO-CQSZACIVSA-N
XLogP5.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205586
N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide
CID 114315653
4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide
CID 65205040
2,4-dimethyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-1,3-oxazole-5-carboxamide
CID 124607211
2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 65205295
4-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiadiazole-5-carboxamide
CID 106512263
(2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 65206035
3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 112982231
3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206184
2,5-dimethyl-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986155
3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
CID 65204891
6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide
CID 131962645

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide (CID 99792709) is 4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide is C[C@@H](Nc1ccc(NC(=O)c2snnc2C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide?
The InChIKey is FGBWARFNLJHKCO-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-14(15-8-6-5-7-9-15)22-16-10-12-17(13-11-16)23-20(26)18-19(21(2,3)4)24-25-27-18/h5-14,22H,1-4H3,(H,23,26)/t14-/m1/s1.
What are the key properties of 4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide?
4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 99792709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).