(4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide

C19H18N4O2S2 — CID 46231899

IUPAC(4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)Nc1ccc(C2N[C@H](C(=O)Nc3nc4ccccc4s3)CS2)cc1
InChIInChI=1S/C19H18N4O2S2/c1-11(24)20-13-8-6-12(7-9-13)18-21-15(10-26-18)17(25)23-19-22-14-4-2-3-5-16(14)27-19/h2-9,15,18,21H,10H2,1H3,(H,20,24)(H,22,23,25)/t15-,18?/m0/s1
InChIKeyUFCYFWFBRHUKQS-BUSXIPJBSA-N
MW398.51 g/mol
LogP3.60
Rot. Bonds4

About (4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide

(4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 46231899) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID46231899
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC Name(4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)Nc1ccc(C2N[C@H](C(=O)Nc3nc4ccccc4s3)CS2)cc1
InChIInChI=1S/C19H18N4O2S2/c1-11(24)20-13-8-6-12(7-9-13)18-21-15(10-26-18)17(25)23-19-22-14-4-2-3-5-16(14)27-19/h2-9,15,18,21H,10H2,1H3,(H,20,24)(H,22,23,25)/t15-,18?/m0/s1
InChIKeyUFCYFWFBRHUKQS-BUSXIPJBSA-N
XLogP3.60
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide (CID 46231899) is (4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide is CC(=O)Nc1ccc(C2N[C@H](C(=O)Nc3nc4ccccc4s3)CS2)cc1.
What is the InChIKey of (4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is UFCYFWFBRHUKQS-BUSXIPJBSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c1-11(24)20-13-8-6-12(7-9-13)18-21-15(10-26-18)17(25)23-19-22-14-4-2-3-5-16(14)27-19/h2-9,15,18,21H,10H2,1H3,(H,20,24)(H,22,23,25)/t15-,18?/m0/s1.
What are the key properties of (4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
(4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-acetamidophenyl)-N-(1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 46231899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).