1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol

C14H16N2OS — CID 54913172

IUPAC1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1csc(CNC2CCc3c(O)cccc32)n1
InChIInChI=1S/C14H16N2OS/c1-9-8-18-14(16-9)7-15-12-6-5-11-10(12)3-2-4-13(11)17/h2-4,8,12,15,17H,5-7H2,1H3
InChIKeyBMGFHHSCQLVFEO-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.93
Rot. Bonds3

About 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol

1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 54913172) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID54913172
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1csc(CNC2CCc3c(O)cccc32)n1
InChIInChI=1S/C14H16N2OS/c1-9-8-18-14(16-9)7-15-12-6-5-11-10(12)3-2-4-13(11)17/h2-4,8,12,15,17H,5-7H2,1H3
InChIKeyBMGFHHSCQLVFEO-UHFFFAOYSA-N
XLogP2.93
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol (CID 54913172) is 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol is Cc1csc(CNC2CCc3c(O)cccc32)n1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is BMGFHHSCQLVFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-8-18-14(16-9)7-15-12-6-5-11-10(12)3-2-4-13(11)17/h2-4,8,12,15,17H,5-7H2,1H3.
What are the key properties of 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol?
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 260.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 54913172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).