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

C21H25N3OS — CID 143693021

IUPACN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C21H25N3OS/c1-5-9-15-14-26-20(23-15)24-17-11-8-13-22-19(17)25-18-12-7-6-10-16(18)21(2,3)4/h6-8,10-14H,5,9H2,1-4H3,(H,23,24)
InChIKeyXMKICPMPRVTHNZ-UHFFFAOYSA-N
MW367.52 g/mol
LogP6.32
Rot. Bonds6

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

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propyl-1,3-thiazol-2-amine (PubChem CID 143693021) 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-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propyl-1,3-thiazol-2-amine
PubChem CID143693021
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C21H25N3OS/c1-5-9-15-14-26-20(23-15)24-17-11-8-13-22-19(17)25-18-12-7-6-10-16(18)21(2,3)4/h6-8,10-14H,5,9H2,1-4H3,(H,23,24)
InChIKeyXMKICPMPRVTHNZ-UHFFFAOYSA-N
XLogP6.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-ethyl-1,3-thiazol-2-amine
CID 86250340
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]-4-propan-2-yl-1,3-thiazol-2-amine
CID 59128933
[2-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]phenyl]methanol
CID 59128999
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-propyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 143693019
3-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]-3-methylbutanoic acid
CID 59129074
4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-phenyl-1,3-thiazol-2-amine
CID 59128997
3-(benzenesulfinylmethyl)-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,2,4-thiadiazol-5-amine
CID 66917033
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]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 59129098
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
CID 59128778

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propyl-1,3-thiazol-2-amine (CID 143693021) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propyl-1,3-thiazol-2-amine is CCCc1csc(Nc2cccnc2Oc2ccccc2C(C)(C)C)n1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propyl-1,3-thiazol-2-amine?
The InChIKey is XMKICPMPRVTHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-5-9-15-14-26-20(23-15)24-17-11-8-13-22-19(17)25-18-12-7-6-10-16(18)21(2,3)4/h6-8,10-14H,5,9H2,1-4H3,(H,23,24).
What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propyl-1,3-thiazol-2-amine?
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-propyl-1,3-thiazol-2-amine has a molecular weight of 367.52 g/mol, XLogP of 6.32, 6 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-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 143693021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).