N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide

C19H19ClN4OS — CID 40873592

IUPACN-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESC[C@@H](c1ccccc1)N(C)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C19H19ClN4OS/c1-13(14-6-4-3-5-7-14)24(2)12-17-22-23-19(26-17)18(25)21-16-10-8-15(20)9-11-16/h3-11,13H,12H2,1-2H3,(H,21,25)/t13-/m0/s1
InChIKeyOZTYMLZXSCXFTG-ZDUSSCGKSA-N
MW386.91 g/mol
LogP4.64
Rot. Bonds6

About N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide

N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 40873592) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID40873592
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC NameN-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESC[C@@H](c1ccccc1)N(C)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1
InChIInChI=1S/C19H19ClN4OS/c1-13(14-6-4-3-5-7-14)24(2)12-17-22-23-19(26-17)18(25)21-16-10-8-15(20)9-11-16/h3-11,13H,12H2,1-2H3,(H,21,25)/t13-/m0/s1
InChIKeyOZTYMLZXSCXFTG-ZDUSSCGKSA-N
XLogP4.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-5-[[methyl-[(1R)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 40873599
5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 18124244
5-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 36954188
5-[[(2-bromophenyl)methyl-methylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 112809365
2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide
CID 113162054
5-[(benzhydrylamino)methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 112809355
5-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606722
5-[(dibenzylamino)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 52560599
5-[[(3-chloro-4-fluorophenyl)carbamoylamino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 53100149
N-(3-chlorophenyl)-5-[3-oxo-3-(1-phenylethylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 46354712
5-[3-(4-chloroanilino)-3-oxopropyl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46354763
5-[4-oxo-4-(1-phenylethylamino)butyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46320299

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide (CID 40873592) is N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide is C[C@@H](c1ccccc1)N(C)Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1.
What is the InChIKey of N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OZTYMLZXSCXFTG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-13(14-6-4-3-5-7-14)24(2)12-17-22-23-19(26-17)18(25)21-16-10-8-15(20)9-11-16/h3-11,13H,12H2,1-2H3,(H,21,25)/t13-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide?
N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[[methyl-[(1S)-1-phenylethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 40873592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).