(4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide

C19H22ClN3O2S — CID 97002178

IUPAC(4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C19H22ClN3O2S/c1-11-14(8-12-7-13(20)5-6-15(12)21-11)18(25)23-10-26-9-16(23)17(24)22-19(2,3)4/h5-8,16H,9-10H2,1-4H3,(H,22,24)/t16-/m0/s1
InChIKeyORYORQSOEDENGR-INIZCTEOSA-N
MW391.92 g/mol
LogP3.63
Rot. Bonds2

About (4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide

(4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 97002178) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is (4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID97002178
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name(4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C19H22ClN3O2S/c1-11-14(8-12-7-13(20)5-6-15(12)21-11)18(25)23-10-26-9-16(23)17(24)22-19(2,3)4/h5-8,16H,9-10H2,1-4H3,(H,22,24)/t16-/m0/s1
InChIKeyORYORQSOEDENGR-INIZCTEOSA-N
XLogP3.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 97002178) is (4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide is Cc1nc2ccc(Cl)cc2cc1C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C.
What is the InChIKey of (4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ORYORQSOEDENGR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-11-14(8-12-7-13(20)5-6-15(12)21-11)18(25)23-10-26-9-16(23)17(24)22-19(2,3)4/h5-8,16H,9-10H2,1-4H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97002178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).