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

C17H17N3S — CID 25012739

IUPAC4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
SMILESCCCc1cc(-c2nc(-c3ccc(N)cc3)cs2)ccn1
InChIInChI=1S/C17H17N3S/c1-2-3-15-10-13(8-9-19-15)17-20-16(11-21-17)12-4-6-14(18)7-5-12/h4-11H,2-3,18H2,1H3
InChIKeyQKFIOIFLEOWEFH-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.41
Rot. Bonds4

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

4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline (PubChem CID 25012739) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
PubChem CID25012739
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
SMILESCCCc1cc(-c2nc(-c3ccc(N)cc3)cs2)ccn1
InChIInChI=1S/C17H17N3S/c1-2-3-15-10-13(8-9-19-15)17-20-16(11-21-17)12-4-6-14(18)7-5-12/h4-11H,2-3,18H2,1H3
InChIKeyQKFIOIFLEOWEFH-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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline (CID 25012739) is 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline is CCCc1cc(-c2nc(-c3ccc(N)cc3)cs2)ccn1.
What is the InChIKey of 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is QKFIOIFLEOWEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-2-3-15-10-13(8-9-19-15)17-20-16(11-21-17)12-4-6-14(18)7-5-12/h4-11H,2-3,18H2,1H3.
What are the key properties of 4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
4-[2-(2-propyl-4-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-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 25012739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).