(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide

C16H12Cl2N2OS2 — CID 7795830

IUPAC(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide
SMILESC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12Cl2N2OS2/c1-9(15(21)19-12-4-2-3-10(17)7-12)22-16-20-13-8-11(18)5-6-14(13)23-16/h2-9H,1H3,(H,19,21)/t9-/m1/s1
InChIKeyWGINYVAGMSLBBS-SECBINFHSA-N
MW383.33 g/mol
LogP5.72
Rot. Bonds4

About (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide

(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide (PubChem CID 7795830) has the molecular formula C16H12Cl2N2OS2 and a molecular weight of 383.33 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide
PubChem CID7795830
Molecular FormulaC16H12Cl2N2OS2
Molecular Weight383.33 g/mol
Exact Mass381.98
IUPAC Name(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide
SMILESC[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12Cl2N2OS2/c1-9(15(21)19-12-4-2-3-10(17)7-12)22-16-20-13-8-11(18)5-6-14(13)23-16/h2-9H,1H3,(H,19,21)/t9-/m1/s1
InChIKeyWGINYVAGMSLBBS-SECBINFHSA-N
XLogP5.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.33
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide
CID 7795829
(2S)-N-(4-acetamidophenyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanamide
CID 8642974
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chlorophenyl)propanamide
CID 7865333
(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 7795905
(2S)-N-(3-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2532586
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 75855709
(2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclohexylpropanamide
CID 7372976
(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclohexylpropanamide
CID 7372977
(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanamide
CID 8642922
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 3487570
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 17406425
N-(3-chlorophenyl)-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 16538787

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide?
The IUPAC name of (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide (CID 7795830) is (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide is C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide?
The InChIKey is WGINYVAGMSLBBS-SECBINFHSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS2/c1-9(15(21)19-12-4-2-3-10(17)7-12)22-16-20-13-8-11(18)5-6-14(13)23-16/h2-9H,1H3,(H,19,21)/t9-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide?
(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide has a molecular weight of 383.33 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 7795830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).