N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide

C13H14ClN3OS — CID 51962264

IUPACN-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cnsn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3OS/c1-8(2)12(9-3-5-10(14)6-4-9)16-13(18)11-7-15-19-17-11/h3-8,12H,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyYTXJSVQWWOMITI-GFCCVEGCSA-N
MW295.80 g/mol
LogP3.32
Rot. Bonds4

About N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide

N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 51962264) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID51962264
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC NameN-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCC(C)[C@@H](NC(=O)c1cnsn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3OS/c1-8(2)12(9-3-5-10(14)6-4-9)16-13(18)11-7-15-19-17-11/h3-8,12H,1-2H3,(H,16,18)/t12-/m1/s1
InChIKeyYTXJSVQWWOMITI-GFCCVEGCSA-N
XLogP3.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704007
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119699944
N-[1-(4-chlorophenyl)-2-methylpropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60708849
2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
CID 106853109
N-[1-(4-chlorophenyl)-2-methylpropyl]-5-iodothiophene-3-carboxamide
CID 79693410
4-chloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-2-carboxamide
CID 31607589
5-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103817083
5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 16603694
6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103336985
2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide
CID 79810224
phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate
CID 60709177

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide (CID 51962264) is N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide is CC(C)[C@@H](NC(=O)c1cnsn1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is YTXJSVQWWOMITI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-8(2)12(9-3-5-10(14)6-4-9)16-13(18)11-7-15-19-17-11/h3-8,12H,1-2H3,(H,16,18)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide?
N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)-2-methylpropyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 51962264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).