(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone

C14H14N2OS — CID 110863850

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncc(C(=O)N2c3ccccc3CC2C)s1
InChIInChI=1S/C14H14N2OS/c1-9-7-11-5-3-4-6-12(11)16(9)14(17)13-8-15-10(2)18-13/h3-6,8-9H,7H2,1-2H3
InChIKeySGCDLXRMXNZZTE-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.04
Rot. Bonds1

About (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone

(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 110863850) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
PubChem CID110863850
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncc(C(=O)N2c3ccccc3CC2C)s1
InChIInChI=1S/C14H14N2OS/c1-9-7-11-5-3-4-6-12(11)16(9)14(17)13-8-15-10(2)18-13/h3-6,8-9H,7H2,1-2H3
InChIKeySGCDLXRMXNZZTE-UHFFFAOYSA-N
XLogP3.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone
CID 110863849
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42905966
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
(4-amino-5-methylthiophen-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 61091919
2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 133265038
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
[5-(benzenesulfonyl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 53124466
[5-(benzenesulfonyl)thiophen-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 95091593
[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 4731716
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone (CID 110863850) is (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone is Cc1ncc(C(=O)N2c3ccccc3CC2C)s1.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is SGCDLXRMXNZZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-9-7-11-5-3-4-6-12(11)16(9)14(17)13-8-15-10(2)18-13/h3-6,8-9H,7H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone?
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 258.35 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110863850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).