1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide

C19H17ClN4O2S — CID 162509588

IUPAC1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCc1nc2ccc([C@@H](c3ccc(Cl)cc3)N3CC(C(N)=O)NC3=O)cc2s1
InChIInChI=1S/C19H17ClN4O2S/c1-10-22-14-7-4-12(8-16(14)27-10)17(11-2-5-13(20)6-3-11)24-9-15(18(21)25)23-19(24)26/h2-8,15,17H,9H2,1H3,(H2,21,25)(H,23,26)/t15?,17-/m1/s1
InChIKeyIQKGAOKMNWZDJB-OMOCHNIRSA-N
MW400.89 g/mol
LogP3.23
Rot. Bonds4

About 1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide

1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162509588) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is 1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162509588
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC Name1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCc1nc2ccc([C@@H](c3ccc(Cl)cc3)N3CC(C(N)=O)NC3=O)cc2s1
InChIInChI=1S/C19H17ClN4O2S/c1-10-22-14-7-4-12(8-16(14)27-10)17(11-2-5-13(20)6-3-11)24-9-15(18(21)25)23-19(24)26/h2-8,15,17H,9H2,1H3,(H2,21,25)(H,23,26)/t15?,17-/m1/s1
InChIKeyIQKGAOKMNWZDJB-OMOCHNIRSA-N
XLogP3.23
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of 1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 162509588) is 1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for 1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for 1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide is Cc1nc2ccc([C@@H](c3ccc(Cl)cc3)N3CC(C(N)=O)NC3=O)cc2s1.
What is the InChIKey of 1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is IQKGAOKMNWZDJB-OMOCHNIRSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c1-10-22-14-7-4-12(8-16(14)27-10)17(11-2-5-13(20)6-3-11)24-9-15(18(21)25)23-19(24)26/h2-8,15,17H,9H2,1H3,(H2,21,25)(H,23,26)/t15?,17-/m1/s1.
What are the key properties of 1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-chlorophenyl)-(2-methyl-1,3-benzothiazol-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162509588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).