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

C14H14N2OS — CID 164640742

IUPAC[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C14H14N2OS/c1-9-7-11-5-3-4-6-12(11)16(9)14(17)13-10(2)15-8-18-13/h3-6,8-9H,7H2,1-2H3/t9-/m0/s1
InChIKeyDRAVLRDVNSSVME-VIFPVBQESA-N
MW258.35 g/mol
LogP3.04
Rot. Bonds1

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

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 164640742) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID164640742
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C14H14N2OS/c1-9-7-11-5-3-4-6-12(11)16(9)14(17)13-10(2)15-8-18-13/h3-6,8-9H,7H2,1-2H3/t9-/m0/s1
InChIKeyDRAVLRDVNSSVME-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 164640742) is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is DRAVLRDVNSSVME-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N2OS/c1-9-7-11-5-3-4-6-12(11)16(9)14(17)13-10(2)15-8-18-13/h3-6,8-9H,7H2,1-2H3/t9-/m0/s1.
What are the key properties of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-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 [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 164640742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).