4-(2-propyl-1,3-thiazol-5-yl)aniline

C12H14N2S — CID 130019457

IUPAC4-(2-propyl-1,3-thiazol-5-yl)aniline
SMILESCCCc1ncc(-c2ccc(N)cc2)s1
InChIInChI=1S/C12H14N2S/c1-2-3-12-14-8-11(15-12)9-4-6-10(13)7-5-9/h4-8H,2-3,13H2,1H3
InChIKeyDLXGNAMQSXITTE-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.34
Rot. Bonds3

About 4-(2-propyl-1,3-thiazol-5-yl)aniline

4-(2-propyl-1,3-thiazol-5-yl)aniline (PubChem CID 130019457) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 4-(2-propyl-1,3-thiazol-5-yl)aniline.

Molecular Properties

Compound Name4-(2-propyl-1,3-thiazol-5-yl)aniline
PubChem CID130019457
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name4-(2-propyl-1,3-thiazol-5-yl)aniline
SMILESCCCc1ncc(-c2ccc(N)cc2)s1
InChIInChI=1S/C12H14N2S/c1-2-3-12-14-8-11(15-12)9-4-6-10(13)7-5-9/h4-8H,2-3,13H2,1H3
InChIKeyDLXGNAMQSXITTE-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-propyl-1,3-thiazol-5-yl)aniline?
The IUPAC name of 4-(2-propyl-1,3-thiazol-5-yl)aniline (CID 130019457) is 4-(2-propyl-1,3-thiazol-5-yl)aniline.
What is the SMILES notation for 4-(2-propyl-1,3-thiazol-5-yl)aniline?
The canonical SMILES for 4-(2-propyl-1,3-thiazol-5-yl)aniline is CCCc1ncc(-c2ccc(N)cc2)s1.
What is the InChIKey of 4-(2-propyl-1,3-thiazol-5-yl)aniline?
The InChIKey is DLXGNAMQSXITTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-3-12-14-8-11(15-12)9-4-6-10(13)7-5-9/h4-8H,2-3,13H2,1H3.
What are the key properties of 4-(2-propyl-1,3-thiazol-5-yl)aniline?
4-(2-propyl-1,3-thiazol-5-yl)aniline has a molecular weight of 218.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propyl-1,3-thiazol-5-yl)aniline is sourced from PubChem (CID 130019457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).