(2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide

C17H14ClN3OS2 — CID 7121076

IUPAC(2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide
SMILESC[C@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2Cl)s1
InChIInChI=1S/C17H14ClN3OS2/c1-11(23-12-7-3-2-4-8-12)15(22)19-17-21-20-16(24-17)13-9-5-6-10-14(13)18/h2-11H,1H3,(H,19,21,22)/t11-/m0/s1
InChIKeyPKHWPDKNGODXJX-NSHDSACASA-N
MW375.91 g/mol
LogP4.98
Rot. Bonds5

About (2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide

(2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide (PubChem CID 7121076) has the molecular formula C17H14ClN3OS2 and a molecular weight of 375.91 g/mol. Its IUPAC name is (2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide
PubChem CID7121076
Molecular FormulaC17H14ClN3OS2
Molecular Weight375.91 g/mol
Exact Mass375.03
IUPAC Name(2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide
SMILESC[C@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2Cl)s1
InChIInChI=1S/C17H14ClN3OS2/c1-11(23-12-7-3-2-4-8-12)15(22)19-17-21-20-16(24-17)13-9-5-6-10-14(13)18/h2-11H,1H3,(H,19,21,22)/t11-/m0/s1
InChIKeyPKHWPDKNGODXJX-NSHDSACASA-N
XLogP4.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.91
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide
CID 119745126
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide
CID 82176329
(2R)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
CID 7121115
3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 119745140
(2S)-2-(4-chlorophenyl)sulfanyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7121110
2,2,2-tribromo-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19256598
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(diethylamino)pentanamide
CID 19256797
N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2955781
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 19256591
(2S)-N-(1,3-benzothiazol-2-yl)-2-phenylsulfanylpropanamide
CID 8882295
methyl 2-[[5-[[(2S)-2-phenylsulfanylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 100591935
ethyl 2-[(2R)-1-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]sulfanylacetate
CID 7121180

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide?
The IUPAC name of (2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide (CID 7121076) is (2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide is C[C@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccccc2Cl)s1.
What is the InChIKey of (2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide?
The InChIKey is PKHWPDKNGODXJX-NSHDSACASA-N. The full InChI is InChI=1S/C17H14ClN3OS2/c1-11(23-12-7-3-2-4-8-12)15(22)19-17-21-20-16(24-17)13-9-5-6-10-14(13)18/h2-11H,1H3,(H,19,21,22)/t11-/m0/s1.
What are the key properties of (2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide?
(2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide has a molecular weight of 375.91 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 7121076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).