N-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine

C19H23N3S — CID 87843098

IUPACN-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine
SMILESCC(C)CNC(C)c1cc(Nc2nccs2)cc2ccccc12
InChIInChI=1S/C19H23N3S/c1-13(2)12-21-14(3)18-11-16(22-19-20-8-9-23-19)10-15-6-4-5-7-17(15)18/h4-11,13-14,21H,12H2,1-3H3,(H,20,22)
InChIKeyAEDGBJWTYKESAC-UHFFFAOYSA-N
MW325.48 g/mol
LogP5.35
Rot. Bonds6

About N-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine

N-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine (PubChem CID 87843098) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine
PubChem CID87843098
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC NameN-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine
SMILESCC(C)CNC(C)c1cc(Nc2nccs2)cc2ccccc12
InChIInChI=1S/C19H23N3S/c1-13(2)12-21-14(3)18-11-16(22-19-20-8-9-23-19)10-15-6-4-5-7-17(15)18/h4-11,13-14,21H,12H2,1-3H3,(H,20,22)
InChIKeyAEDGBJWTYKESAC-UHFFFAOYSA-N
XLogP5.35
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.48
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine (CID 87843098) is N-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine is CC(C)CNC(C)c1cc(Nc2nccs2)cc2ccccc12.
What is the InChIKey of N-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine?
The InChIKey is AEDGBJWTYKESAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-13(2)12-21-14(3)18-11-16(22-19-20-8-9-23-19)10-15-6-4-5-7-17(15)18/h4-11,13-14,21H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine?
N-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine has a molecular weight of 325.48 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methylpropylamino)ethyl]naphthalen-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87843098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).