N-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide

C22H24N4O2S — CID 10409191

IUPACN-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
SMILESCC(C)(C)NC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C22H24N4O2S/c1-22(2,3)25-21(28)26-12-16(15-8-4-5-9-18(15)26)19(27)17-13-29-20(24-17)14-7-6-10-23-11-14/h4-12,17,20,24H,13H2,1-3H3,(H,25,28)/t17-,20?/m0/s1
InChIKeyVSYRBXOPZYZLRP-DIMJTDRSSA-N
MW408.53 g/mol
LogP3.98
Rot. Bonds3

About N-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide

N-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (PubChem CID 10409191) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
PubChem CID10409191
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
SMILESCC(C)(C)NC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21
InChIInChI=1S/C22H24N4O2S/c1-22(2,3)25-21(28)26-12-16(15-8-4-5-9-18(15)26)19(27)17-13-29-20(24-17)14-7-6-10-23-11-14/h4-12,17,20,24H,13H2,1-3H3,(H,25,28)/t17-,20?/m0/s1
InChIKeyVSYRBXOPZYZLRP-DIMJTDRSSA-N
XLogP3.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The IUPAC name of N-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide (CID 10409191) is N-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is CC(C)(C)NC(=O)n1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21.
What is the InChIKey of N-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
The InChIKey is VSYRBXOPZYZLRP-DIMJTDRSSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-22(2,3)25-21(28)26-12-16(15-8-4-5-9-18(15)26)19(27)17-13-29-20(24-17)14-7-6-10-23-11-14/h4-12,17,20,24H,13H2,1-3H3,(H,25,28)/t17-,20?/m0/s1.
What are the key properties of N-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide?
N-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide is sourced from PubChem (CID 10409191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).