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

C15H15N3OS — CID 71704096

IUPAC1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide
SMILESCn1ccc2c(C(=O)NCCc3nccs3)cccc21
InChIInChI=1S/C15H15N3OS/c1-18-9-6-11-12(3-2-4-13(11)18)15(19)17-7-5-14-16-8-10-20-14/h2-4,6,8-10H,5,7H2,1H3,(H,17,19)
InChIKeyFWGLPIMJTWNYJR-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.61
Rot. Bonds4

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

1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide (PubChem CID 71704096) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide
PubChem CID71704096
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide
SMILESCn1ccc2c(C(=O)NCCc3nccs3)cccc21
InChIInChI=1S/C15H15N3OS/c1-18-9-6-11-12(3-2-4-13(11)18)15(19)17-7-5-14-16-8-10-20-14/h2-4,6,8-10H,5,7H2,1H3,(H,17,19)
InChIKeyFWGLPIMJTWNYJR-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-1-methyl-N-(1,3-thiazol-2-ylmethyl)indole-4-carboxamide
CID 77085780
N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide
CID 112529597
3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 112575884
2-benzoyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49411610
1-methyl-N-(1-methylimidazol-2-yl)indole-4-carboxamide
CID 134712669
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
CID 110461892
1-(2-methoxyethyl)-N-(2-pyridin-2-ylethyl)indole-4-carboxamide
CID 71701248
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-4-carboxamide
CID 112528637
N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide
CID 175777904
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 110474816
2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49356336
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide (CID 71704096) is 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide is Cn1ccc2c(C(=O)NCCc3nccs3)cccc21.
What is the InChIKey of 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide?
The InChIKey is FWGLPIMJTWNYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-18-9-6-11-12(3-2-4-13(11)18)15(19)17-7-5-14-16-8-10-20-14/h2-4,6,8-10H,5,7H2,1H3,(H,17,19).
What are the key properties of 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide?
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide is sourced from PubChem (CID 71704096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).