N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

C15H17N3OS — CID 76895037

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ncc(CN(C)C(=O)C2Cc3ccccc3N2)s1
InChIInChI=1S/C15H17N3OS/c1-10-16-8-12(20-10)9-18(2)15(19)14-7-11-5-3-4-6-13(11)17-14/h3-6,8,14,17H,7,9H2,1-2H3
InChIKeySOUYECODVQVTQY-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.45
Rot. Bonds3

About N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 76895037) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID76895037
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ncc(CN(C)C(=O)C2Cc3ccccc3N2)s1
InChIInChI=1S/C15H17N3OS/c1-10-16-8-12(20-10)9-18(2)15(19)14-7-11-5-3-4-6-13(11)17-14/h3-6,8,14,17H,7,9H2,1-2H3
InChIKeySOUYECODVQVTQY-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]acetamide
CID 164609187
N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide
CID 164628232
[5-[(2-Methoxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 164621587
N-(4-{2-oxo-2-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl}phenyl)acetamide
CID 122243076
(1R,3S,4S)-N-[1-cyano-2-[5-(1-methyl-2-oxo-3H-indol-6-yl)-1,3-thiazol-2-yl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 90431361
2-Amino-1-[(S)-2-(5-ethyl-thiazol-2-yl)-2,3-dihydro-indol-1-yl]-ethanone
CID 44359002
N-methyl-2-[4-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]phenyl]acetamide
CID 72117739
N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide
CID 75428456
1'-(1,3-thiazol-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375612
1-(2-Methylpropyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 118744065
N-[(1S)-1-(cyclohexylmethyl)-2-(cyclopropylamino)-2-oxo-ethyl]-2-[[6-(trifluoromethyl)indolin-1-yl]methyl]thiazole-5-carboxamide
CID 171424507
US9611224, Example 2d
CID 89923543

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 76895037) is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ncc(CN(C)C(=O)C2Cc3ccccc3N2)s1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is SOUYECODVQVTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-16-8-12(20-10)9-18(2)15(19)14-7-11-5-3-4-6-13(11)17-14/h3-6,8,14,17H,7,9H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 76895037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).