4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one

C14H16N2OS — CID 106380338

IUPAC4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCc3ccccc3C2)cs1
InChIInChI=1S/C14H16N2OS/c17-14-16-13(9-18-14)8-15-12-6-5-10-3-1-2-4-11(10)7-12/h1-4,9,12,15H,5-8H2,(H,16,17)
InChIKeyABMILOYMQKNGCC-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.08
Rot. Bonds3

About 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380338) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380338
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCc3ccccc3C2)cs1
InChIInChI=1S/C14H16N2OS/c17-14-16-13(9-18-14)8-15-12-6-5-10-3-1-2-4-11(10)7-12/h1-4,9,12,15H,5-8H2,(H,16,17)
InChIKeyABMILOYMQKNGCC-UHFFFAOYSA-N
XLogP2.08
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380338) is 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCc3ccccc3C2)cs1.
What is the InChIKey of 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ABMILOYMQKNGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-14-16-13(9-18-14)8-15-12-6-5-10-3-1-2-4-11(10)7-12/h1-4,9,12,15H,5-8H2,(H,16,17).
What are the key properties of 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 260.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).