(3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide

C19H20N4OS — CID 124844604

IUPAC(3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc([C@@H](CC(=O)NCc2nnc(N)s2)c2ccccc2)cc1
InChIInChI=1S/C19H20N4OS/c1-13-7-9-15(10-8-13)16(14-5-3-2-4-6-14)11-17(24)21-12-18-22-23-19(20)25-18/h2-10,16H,11-12H2,1H3,(H2,20,23)(H,21,24)/t16-/m0/s1
InChIKeyGNKBUBSKONEHBD-INIZCTEOSA-N
MW352.46 g/mol
LogP3.27
Rot. Bonds6

About (3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide

(3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide (PubChem CID 124844604) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is (3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide
PubChem CID124844604
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name(3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc([C@@H](CC(=O)NCc2nnc(N)s2)c2ccccc2)cc1
InChIInChI=1S/C19H20N4OS/c1-13-7-9-15(10-8-13)16(14-5-3-2-4-6-14)11-17(24)21-12-18-22-23-19(20)25-18/h2-10,16H,11-12H2,1H3,(H2,20,23)(H,21,24)/t16-/m0/s1
InChIKeyGNKBUBSKONEHBD-INIZCTEOSA-N
XLogP3.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylbenzamide
CID 92660456
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
CID 18565635
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-phenylprop-2-enamide
CID 171137537
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methylsulfanylbenzamide
CID 91768199
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
(3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
CID 25368116
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide
CID 122567122
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110444644
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,3-diphenylpropanamide
CID 110671190
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide?
The IUPAC name of (3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide (CID 124844604) is (3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for (3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide is Cc1ccc([C@@H](CC(=O)NCc2nnc(N)s2)c2ccccc2)cc1.
What is the InChIKey of (3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide?
The InChIKey is GNKBUBSKONEHBD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-7-9-15(10-8-13)16(14-5-3-2-4-6-14)11-17(24)21-12-18-22-23-19(20)25-18/h2-10,16H,11-12H2,1H3,(H2,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of (3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide?
(3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide has a molecular weight of 352.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(4-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 124844604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).