N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine

C21H23N3OS — CID 59129098

IUPACN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2c(s1)CCC2
InChIInChI=1S/C21H23N3OS/c1-21(2,3)14-8-4-5-11-17(14)25-19-16(10-7-13-22-19)24-20-23-15-9-6-12-18(15)26-20/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H,23,24)
InChIKeyFAUJAZXTYXKREE-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.86
Rot. Bonds4

About N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (PubChem CID 59129098) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
PubChem CID59129098
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2c(s1)CCC2
InChIInChI=1S/C21H23N3OS/c1-21(2,3)14-8-4-5-11-17(14)25-19-16(10-7-13-22-19)24-20-23-15-9-6-12-18(15)26-20/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H,23,24)
InChIKeyFAUJAZXTYXKREE-UHFFFAOYSA-N
XLogP5.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (CID 59129098) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is CC(C)(C)c1ccccc1Oc1ncccc1Nc1nc2c(s1)CCC2.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is FAUJAZXTYXKREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-21(2,3)14-8-4-5-11-17(14)25-19-16(10-7-13-22-19)24-20-23-15-9-6-12-18(15)26-20/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 365.50 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 59129098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).