N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide

C25H21ClN4O2S — CID 41251909

IUPACN-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C25H21ClN4O2S/c26-20-14-8-7-13-19(20)24(32)27-21(18-11-5-2-6-12-18)16-22(31)28-25-30-29-23(33-25)15-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,27,32)(H,28,30,31)/t21-/m0/s1
InChIKeyPYEWNIFCXOLNSL-NRFANRHFSA-N
MW476.99 g/mol
LogP5.28
Rot. Bonds8

About N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide

N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide (PubChem CID 41251909) has the molecular formula C25H21ClN4O2S and a molecular weight of 476.99 g/mol. Its IUPAC name is N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
PubChem CID41251909
Molecular FormulaC25H21ClN4O2S
Molecular Weight476.99 g/mol
Exact Mass476.11
IUPAC NameN-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C25H21ClN4O2S/c26-20-14-8-7-13-19(20)24(32)27-21(18-11-5-2-6-12-18)16-22(31)28-25-30-29-23(33-25)15-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,27,32)(H,28,30,31)/t21-/m0/s1
InChIKeyPYEWNIFCXOLNSL-NRFANRHFSA-N
XLogP5.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.99
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide with MolForge

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Related Compounds

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CID 41157074
N-[(1R)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
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CID 55435292
N-[(1R)-3-(benzo[e][1,3]benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 2441003
N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 1341172
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
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N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
ethyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55343894
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide
CID 18075087
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
The IUPAC name of N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide (CID 41251909) is N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide.
What is the SMILES notation for N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
The canonical SMILES for N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide is O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
The InChIKey is PYEWNIFCXOLNSL-NRFANRHFSA-N. The full InChI is InChI=1S/C25H21ClN4O2S/c26-20-14-8-7-13-19(20)24(32)27-21(18-11-5-2-6-12-18)16-22(31)28-25-30-29-23(33-25)15-17-9-3-1-4-10-17/h1-14,21H,15-16H2,(H,27,32)(H,28,30,31)/t21-/m0/s1.
What are the key properties of N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide?
N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide has a molecular weight of 476.99 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide is sourced from PubChem (CID 41251909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).