(6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone

C16H18N2OS — CID 159953935

IUPAC(6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone
SMILESCc1ccc2c(C(=O)C3=NC(C(C)C)CS3)c[nH]c2c1
InChIInChI=1S/C16H18N2OS/c1-9(2)14-8-20-16(18-14)15(19)12-7-17-13-6-10(3)4-5-11(12)13/h4-7,9,14,17H,8H2,1-3H3
InChIKeyIFITZHDDRBPTSO-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.83
Rot. Bonds3

About (6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone

(6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone (PubChem CID 159953935) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is (6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone
PubChem CID159953935
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name(6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone
SMILESCc1ccc2c(C(=O)C3=NC(C(C)C)CS3)c[nH]c2c1
InChIInChI=1S/C16H18N2OS/c1-9(2)14-8-20-16(18-14)15(19)12-7-17-13-6-10(3)4-5-11(12)13/h4-7,9,14,17H,8H2,1-3H3
InChIKeyIFITZHDDRBPTSO-UHFFFAOYSA-N
XLogP3.83
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone with MolForge

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Related Compounds

2-chloro-1-(6-methyl-1H-indol-3-yl)propan-1-one
CID 43163342
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24823778
(6-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43341972
(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 107981662
2-chloro-1-(6-methyl-1H-indol-3-yl)-2-phenylethanone
CID 90302343
(5-bromofuran-2-yl)-(6-methyl-1H-indol-3-yl)methanone
CID 43463712
(3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 81472433
(1,1-dioxothian-2-yl)-(6-methyl-1H-indol-3-yl)methanone
CID 104518071
2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone
CID 114457331
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(6-methyl-1H-indol-3-yl)methanone
CID 81265923
ethyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate
CID 55017679

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone?
The IUPAC name of (6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone (CID 159953935) is (6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone?
The canonical SMILES for (6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone is Cc1ccc2c(C(=O)C3=NC(C(C)C)CS3)c[nH]c2c1.
What is the InChIKey of (6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone?
The InChIKey is IFITZHDDRBPTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-9(2)14-8-20-16(18-14)15(19)12-7-17-13-6-10(3)4-5-11(12)13/h4-7,9,14,17H,8H2,1-3H3.
What are the key properties of (6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone?
(6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone has a molecular weight of 286.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1H-indol-3-yl)-(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 159953935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).