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

C22H27N3OS — CID 170985858

IUPAC4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C22H27N3OS/c1-21(2,3)15-10-7-8-12-17(15)26-19-16(11-9-13-23-19)24-20-25-18(14-27-20)22(4,5)6/h7-14H,1-6H3,(H,24,25)
InChIKeyNFYOUHUACLQZGI-UHFFFAOYSA-N
MW381.55 g/mol
LogP6.67
Rot. Bonds4

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

4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 170985858) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine
PubChem CID170985858
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC Name4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C22H27N3OS/c1-21(2,3)15-10-7-8-12-17(15)26-19-16(11-9-13-23-19)24-20-25-18(14-27-20)22(4,5)6/h7-14H,1-6H3,(H,24,25)
InChIKeyNFYOUHUACLQZGI-UHFFFAOYSA-N
XLogP6.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.55
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine (CID 170985858) is 4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine is CC(C)(C)c1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is NFYOUHUACLQZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-21(2,3)15-10-7-8-12-17(15)26-19-16(11-9-13-23-19)24-20-25-18(14-27-20)22(4,5)6/h7-14H,1-6H3,(H,24,25).
What are the key properties of 4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine?
4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 381.55 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 170985858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).