(4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide

C20H17N3O2S2 — CID 52716359

IUPAC(4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C20H17N3O2S2/c24-18(22-20-21-16(11-27-20)14-7-3-1-4-8-14)17-12-26-13-23(17)19(25)15-9-5-2-6-10-15/h1-11,17H,12-13H2,(H,21,22,24)/t17-/m0/s1
InChIKeyZUUVQZDWPFBPKO-KRWDZBQOSA-N
MW395.51 g/mol
LogP3.96
Rot. Bonds4

About (4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide

(4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 52716359) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID52716359
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC Name(4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C20H17N3O2S2/c24-18(22-20-21-16(11-27-20)14-7-3-1-4-8-14)17-12-26-13-23(17)19(25)15-9-5-2-6-10-15/h1-11,17H,12-13H2,(H,21,22,24)/t17-/m0/s1
InChIKeyZUUVQZDWPFBPKO-KRWDZBQOSA-N
XLogP3.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
3-benzoyl-N-(2,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 51330773
(4R)-3-benzoyl-N-(2,5-dichlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 52716357
cis-(1S,2R)-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate
CID 6958915
N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 60609336
(4R)-3-benzoyl-N-[4-(tetrazol-1-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55941327
N-(4-phenyl-1,3-thiazol-2-yl)-1-prop-2-enoylazetidine-3-carboxamide
CID 170709743
(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 71889011
3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55515650
(4R)-3-benzoyl-N-phenylmethoxy-1,3-thiazolidine-4-carboxamide
CID 94608808

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide (CID 52716359) is (4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZUUVQZDWPFBPKO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c24-18(22-20-21-16(11-27-20)14-7-3-1-4-8-14)17-12-26-13-23(17)19(25)15-9-5-2-6-10-15/h1-11,17H,12-13H2,(H,21,22,24)/t17-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 52716359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).