[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone

C21H21N3OS — CID 1450308

IUPAC[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone
SMILESCNc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)c(C)s1
InChIInChI=1S/C21H21N3OS/c1-13-5-4-6-17(11-13)20(25)24-10-9-15-12-16(7-8-18(15)24)19-14(2)26-21(22-3)23-19/h4-8,11-12H,9-10H2,1-3H3,(H,22,23)
InChIKeyRZNQISBBULKFNN-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.67
Rot. Bonds3

About [5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone

[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone (PubChem CID 1450308) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is [5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone
PubChem CID1450308
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone
SMILESCNc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)c(C)s1
InChIInChI=1S/C21H21N3OS/c1-13-5-4-6-17(11-13)20(25)24-10-9-15-12-16(7-8-18(15)24)19-14(2)26-21(22-3)23-19/h4-8,11-12H,9-10H2,1-3H3,(H,22,23)
InChIKeyRZNQISBBULKFNN-UHFFFAOYSA-N
XLogP4.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-anilino-5-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-(3-fluorophenyl)methanone
CID 3231825
3,3-dimethyl-1-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]butan-1-one
CID 1450984
N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 2064430
N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 1450529
N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3231828
[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(4-fluorophenyl)methanone
CID 1450246
3-chloro-N-[5-methyl-4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 1458926
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 1458252
1-(4-chlorophenyl)-N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 2064413
N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1451102
N-[4-[1-(4-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide
CID 3231861
[5-[2-(cyclopentylamino)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(2-fluorophenyl)methanone
CID 1450242

Frequently Asked Questions

What is the IUPAC name of [5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone (CID 1450308) is [5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone is CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(C)c2)c(C)s1.
What is the InChIKey of [5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone?
The InChIKey is RZNQISBBULKFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-13-5-4-6-17(11-13)20(25)24-10-9-15-12-16(7-8-18(15)24)19-14(2)26-21(22-3)23-19/h4-8,11-12H,9-10H2,1-3H3,(H,22,23).
What are the key properties of [5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone?
[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone has a molecular weight of 363.49 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 1450308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).