N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine

C26H34N4OS — CID 59129066

IUPACN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(Nc2cccnc2Oc2ccccc2C(C)(C)C)sc1N1CCCCC1
InChIInChI=1S/C26H34N4OS/c1-18(2)22-24(30-16-9-6-10-17-30)32-25(29-22)28-20-13-11-15-27-23(20)31-21-14-8-7-12-19(21)26(3,4)5/h7-8,11-15,18H,6,9-10,16-17H2,1-5H3,(H,28,29)
InChIKeyGREHKFSOORDEIY-UHFFFAOYSA-N
MW450.65 g/mol
LogP7.49
Rot. Bonds6

About N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 59129066) has the molecular formula C26H34N4OS and a molecular weight of 450.65 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID59129066
Molecular FormulaC26H34N4OS
Molecular Weight450.65 g/mol
Exact Mass450.25
IUPAC NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(Nc2cccnc2Oc2ccccc2C(C)(C)C)sc1N1CCCCC1
InChIInChI=1S/C26H34N4OS/c1-18(2)22-24(30-16-9-6-10-17-30)32-25(29-22)28-20-13-11-15-27-23(20)31-21-14-8-7-12-19(21)26(3,4)5/h7-8,11-15,18H,6,9-10,16-17H2,1-5H3,(H,28,29)
InChIKeyGREHKFSOORDEIY-UHFFFAOYSA-N
XLogP7.49
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.65
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-(3-methylbutyl)-5-piperidin-1-yl-1,3-thiazol-2-amine
CID 59275017
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-(2,2-dimethylpropyl)-5-piperidin-1-yl-1,3-thiazol-2-amine
CID 58683641
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 59129098
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 59128933
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6-(1-methoxyethyl)-1,3-benzothiazol-2-amine
CID 59841244
4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,3-thiazol-2-amine
CID 59128997
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
CID 59128778
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59128790
5-bromo-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59128919
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59128807
4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine
CID 170985858
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-cyclopentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59129121

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine (CID 59129066) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(Nc2cccnc2Oc2ccccc2C(C)(C)C)sc1N1CCCCC1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is GREHKFSOORDEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4OS/c1-18(2)22-24(30-16-9-6-10-17-30)32-25(29-22)28-20-13-11-15-27-23(20)31-21-14-8-7-12-19(21)26(3,4)5/h7-8,11-15,18H,6,9-10,16-17H2,1-5H3,(H,28,29).
What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine?
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 450.65 g/mol, XLogP of 7.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-piperidin-1-yl-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 59129066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).