4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine

C19H22N4S — CID 122499792

IUPAC4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)CNc1ccc(-c2csc(Nc3ccccn3)n2)cc1
InChIInChI=1S/C19H22N4S/c1-19(2,3)13-21-15-9-7-14(8-10-15)16-12-24-18(22-16)23-17-6-4-5-11-20-17/h4-12,21H,13H2,1-3H3,(H,20,22,23)
InChIKeyXJURZXKVOFBNMD-UHFFFAOYSA-N
MW338.48 g/mol
LogP5.41
Rot. Bonds5

About 4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine

4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 122499792) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID122499792
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCC(C)(C)CNc1ccc(-c2csc(Nc3ccccn3)n2)cc1
InChIInChI=1S/C19H22N4S/c1-19(2,3)13-21-15-9-7-14(8-10-15)16-12-24-18(22-16)23-17-6-4-5-11-20-17/h4-12,21H,13H2,1-3H3,(H,20,22,23)
InChIKeyXJURZXKVOFBNMD-UHFFFAOYSA-N
XLogP5.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 29457657
N-pyridin-2-yl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 122499786
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
N-pyridin-2-yl-4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine;N-pyridin-3-yl-4-[3-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 18428300
N-[4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 42896369
4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42645487
4-(2-fluorophenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 31264886
4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 3280663
4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 2867228
4-[4-(aminomethyl)phenyl]-N-(2,2-dimethylpropyl)-1,3-thiazol-2-amine
CID 59828904
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 122499792) is 4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine is CC(C)(C)CNc1ccc(-c2csc(Nc3ccccn3)n2)cc1.
What is the InChIKey of 4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is XJURZXKVOFBNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-19(2,3)13-21-15-9-7-14(8-10-15)16-12-24-18(22-16)23-17-6-4-5-11-20-17/h4-12,21H,13H2,1-3H3,(H,20,22,23).
What are the key properties of 4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 338.48 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 122499792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).