N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide

C19H23N3O2S — CID 87002069

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3nc(C(C)(C)C)cs3)ccc21
InChIInChI=1S/C19H23N3O2S/c1-5-16(23)22-9-8-12-10-13(6-7-14(12)22)17(24)21-18-20-15(11-25-18)19(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,20,21,24)
InChIKeyLWFCHWBUZCRNIX-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.99
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 87002069) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID87002069
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3nc(C(C)(C)C)cs3)ccc21
InChIInChI=1S/C19H23N3O2S/c1-5-16(23)22-9-8-12-10-13(6-7-14(12)22)17(24)21-18-20-15(11-25-18)19(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,20,21,24)
InChIKeyLWFCHWBUZCRNIX-UHFFFAOYSA-N
XLogP3.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 87002069) is N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)Nc3nc(C(C)(C)C)cs3)ccc21.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is LWFCHWBUZCRNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-5-16(23)22-9-8-12-10-13(6-7-14(12)22)17(24)21-18-20-15(11-25-18)19(2,3)4/h6-7,10-11H,5,8-9H2,1-4H3,(H,20,21,24).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 87002069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).