N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide

C20H23N3OS — CID 95749522

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NCc3csc(C4CC4)n3)ccc21
InChIInChI=1S/C20H23N3OS/c1-4-23-13(3)12(2)17-9-15(7-8-18(17)23)19(24)21-10-16-11-25-20(22-16)14-5-6-14/h7-9,11,14H,4-6,10H2,1-3H3,(H,21,24)
InChIKeyZVHXMLNEZMWZBC-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.54
Rot. Bonds5

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide (PubChem CID 95749522) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
PubChem CID95749522
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
SMILESCCn1c(C)c(C)c2cc(C(=O)NCc3csc(C4CC4)n3)ccc21
InChIInChI=1S/C20H23N3OS/c1-4-23-13(3)12(2)17-9-15(7-8-18(17)23)19(24)21-10-16-11-25-20(22-16)14-5-6-14/h7-9,11,14H,4-6,10H2,1-3H3,(H,21,24)
InChIKeyZVHXMLNEZMWZBC-UHFFFAOYSA-N
XLogP4.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide
CID 35524105
3,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324619
1-ethyl-2,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]indole-5-carboxamide
CID 20940113
N-[(3-chlorophenyl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide
CID 20940057
1-ethyl-2,3-dimethylindole-5-carboxylic acid
CID 608826
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95749640
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
CID 75358505
2-[4-[[5-[(6-cyclopropylpyrazin-2-yl)methylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid
CID 123294522
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 95749571
1-(1-ethyl-2,3-dimethylindole-5-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953916
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-methyl-2-(1,2,4-triazol-4-yl)benzamide
CID 146091331
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide (CID 95749522) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide is CCn1c(C)c(C)c2cc(C(=O)NCc3csc(C4CC4)n3)ccc21.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide?
The InChIKey is ZVHXMLNEZMWZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-4-23-13(3)12(2)17-9-15(7-8-18(17)23)19(24)21-10-16-11-25-20(22-16)14-5-6-14/h7-9,11,14H,4-6,10H2,1-3H3,(H,21,24).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-2,3-dimethylindole-5-carboxamide is sourced from PubChem (CID 95749522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).