4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline

C17H17N3S — CID 163504277

IUPAC4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline
SMILESCCCc1cccc(-c2nc(-c3ccc(N)cc3)cs2)n1
InChIInChI=1S/C17H17N3S/c1-2-4-14-5-3-6-15(19-14)17-20-16(11-21-17)12-7-9-13(18)10-8-12/h3,5-11H,2,4,18H2,1H3
InChIKeyCXGVTWIJPQRAFW-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.41
Rot. Bonds4

About 4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline

4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline (PubChem CID 163504277) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline
PubChem CID163504277
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline
SMILESCCCc1cccc(-c2nc(-c3ccc(N)cc3)cs2)n1
InChIInChI=1S/C17H17N3S/c1-2-4-14-5-3-6-15(19-14)17-20-16(11-21-17)12-7-9-13(18)10-8-12/h3,5-11H,2,4,18H2,1H3
InChIKeyCXGVTWIJPQRAFW-UHFFFAOYSA-N
XLogP4.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline
CID 43667849
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
CID 60707173
4-[4-(2-phenylethyl)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
CID 159855197
4-[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]aniline
CID 107935455
4-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]aniline
CID 62501412
4-[2-(4-aminophenyl)-1,3-thiazol-4-yl]benzonitrile
CID 43667845
2-(4-propyl-1,3-thiazol-2-yl)pyridin-4-amine
CID 136572313
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 25012899
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
4-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 103083651
4-[2-(2-bromo-4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 107915325

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline (CID 163504277) is 4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline is CCCc1cccc(-c2nc(-c3ccc(N)cc3)cs2)n1.
What is the InChIKey of 4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is CXGVTWIJPQRAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-2-4-14-5-3-6-15(19-14)17-20-16(11-21-17)12-7-9-13(18)10-8-12/h3,5-11H,2,4,18H2,1H3.
What are the key properties of 4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline?
4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 295.41 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 163504277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).