6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide

C17H19N3O2S — CID 86853852

IUPAC6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)N(C)Cc3csc(C)n3)[nH]c2c1
InChIInChI=1S/C17H19N3O2S/c1-4-22-14-6-5-12-7-16(19-15(12)8-14)17(21)20(3)9-13-10-23-11(2)18-13/h5-8,10,19H,4,9H2,1-3H3
InChIKeyHWMNDVURMMNSAW-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.60
Rot. Bonds5

About 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide

6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 86853852) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide
PubChem CID86853852
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2cc(C(=O)N(C)Cc3csc(C)n3)[nH]c2c1
InChIInChI=1S/C17H19N3O2S/c1-4-22-14-6-5-12-7-16(19-15(12)8-14)17(21)20(3)9-13-10-23-11(2)18-13/h5-8,10,19H,4,9H2,1-3H3
InChIKeyHWMNDVURMMNSAW-UHFFFAOYSA-N
XLogP3.60
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86852315
(6-butoxy-1H-indol-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 47041147
N,6-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-indole-2-carboxamide
CID 38303841
2-(4-fluorophenoxy)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718196
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525434
3,4-dimethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718140
5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide
CID 46954671
2,5-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114918306
2-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114326394
7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1H-quinazolin-2-one
CID 140990795
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide (CID 86853852) is 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide is CCOc1ccc2cc(C(=O)N(C)Cc3csc(C)n3)[nH]c2c1.
What is the InChIKey of 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is HWMNDVURMMNSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-4-22-14-6-5-12-7-16(19-15(12)8-14)17(21)20(3)9-13-10-23-11(2)18-13/h5-8,10,19H,4,9H2,1-3H3.
What are the key properties of 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide?
6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 86853852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).