N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide

C18H15ClN4O2S2 — CID 25140448

IUPACN-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide
SMILESO=C(CNN1C(=O)CSC1c1ccc(Cl)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C18H15ClN4O2S2/c19-12-7-5-11(6-8-12)17-23(16(25)10-26-17)20-9-15(24)22-18-21-13-3-1-2-4-14(13)27-18/h1-8,17,20H,9-10H2,(H,21,22,24)
InChIKeyGUBDDBALEHDGKU-UHFFFAOYSA-N
MW418.93 g/mol
LogP3.67
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide

N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide (PubChem CID 25140448) has the molecular formula C18H15ClN4O2S2 and a molecular weight of 418.93 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide
PubChem CID25140448
Molecular FormulaC18H15ClN4O2S2
Molecular Weight418.93 g/mol
Exact Mass418.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide
SMILESO=C(CNN1C(=O)CSC1c1ccc(Cl)cc1)Nc1nc2ccccc2s1
InChIInChI=1S/C18H15ClN4O2S2/c19-12-7-5-11(6-8-12)17-23(16(25)10-26-17)20-9-15(24)22-18-21-13-3-1-2-4-14(13)27-18/h1-8,17,20H,9-10H2,(H,21,22,24)
InChIKeyGUBDDBALEHDGKU-UHFFFAOYSA-N
XLogP3.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

S-(1,3-benzothiazol-2-yl) 2-[[2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]ethanethioate
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CID 53494524
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CID 44753805
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CID 5302441
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CID 17225028
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CID 47840976
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
N-(1,3-benzothiazol-2-yl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8882494
(3R)-N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide (CID 25140448) is N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide is O=C(CNN1C(=O)CSC1c1ccc(Cl)cc1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide?
The InChIKey is GUBDDBALEHDGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S2/c19-12-7-5-11(6-8-12)17-23(16(25)10-26-17)20-9-15(24)22-18-21-13-3-1-2-4-14(13)27-18/h1-8,17,20H,9-10H2,(H,21,22,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide has a molecular weight of 418.93 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide is sourced from PubChem (CID 25140448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).