N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine

C21H25N3OS — CID 59128933

IUPACN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C21H25N3OS/c1-14(2)17-13-26-20(24-17)23-16-10-8-12-22-19(16)25-18-11-7-6-9-15(18)21(3,4)5/h6-14H,1-5H3,(H,23,24)
InChIKeyDJFYEYVUTHWQEK-UHFFFAOYSA-N
MW367.52 g/mol
LogP6.49
Rot. Bonds5

About N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 59128933) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID59128933
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C21H25N3OS/c1-14(2)17-13-26-20(24-17)23-16-10-8-12-22-19(16)25-18-11-7-6-9-15(18)21(3,4)5/h6-14H,1-5H3,(H,23,24)
InChIKeyDJFYEYVUTHWQEK-UHFFFAOYSA-N
XLogP6.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 56.49
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]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 59128933) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is DJFYEYVUTHWQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-14(2)17-13-26-20(24-17)23-16-10-8-12-22-19(16)25-18-11-7-6-9-15(18)21(3,4)5/h6-14H,1-5H3,(H,23,24).
What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine?
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 367.52 g/mol, XLogP of 6.49, 5 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]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 59128933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).