4-butyl-2-phenyl-1,3-thiazol-5-amine

C13H16N2S — CID 62077156

IUPAC4-butyl-2-phenyl-1,3-thiazol-5-amine
SMILESCCCCc1nc(-c2ccccc2)sc1N
InChIInChI=1S/C13H16N2S/c1-2-3-9-11-12(14)16-13(15-11)10-7-5-4-6-8-10/h4-8H,2-3,9,14H2,1H3
InChIKeyBTZRKFXLRTWLGQ-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.73
Rot. Bonds4

About 4-butyl-2-phenyl-1,3-thiazol-5-amine

4-butyl-2-phenyl-1,3-thiazol-5-amine (PubChem CID 62077156) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 4-butyl-2-phenyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-butyl-2-phenyl-1,3-thiazol-5-amine
PubChem CID62077156
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name4-butyl-2-phenyl-1,3-thiazol-5-amine
SMILESCCCCc1nc(-c2ccccc2)sc1N
InChIInChI=1S/C13H16N2S/c1-2-3-9-11-12(14)16-13(15-11)10-7-5-4-6-8-10/h4-8H,2-3,9,14H2,1H3
InChIKeyBTZRKFXLRTWLGQ-UHFFFAOYSA-N
XLogP3.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-phenyl-1,3-thiazol-5-amine?
The IUPAC name of 4-butyl-2-phenyl-1,3-thiazol-5-amine (CID 62077156) is 4-butyl-2-phenyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-butyl-2-phenyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-butyl-2-phenyl-1,3-thiazol-5-amine is CCCCc1nc(-c2ccccc2)sc1N.
What is the InChIKey of 4-butyl-2-phenyl-1,3-thiazol-5-amine?
The InChIKey is BTZRKFXLRTWLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-2-3-9-11-12(14)16-13(15-11)10-7-5-4-6-8-10/h4-8H,2-3,9,14H2,1H3.
What are the key properties of 4-butyl-2-phenyl-1,3-thiazol-5-amine?
4-butyl-2-phenyl-1,3-thiazol-5-amine has a molecular weight of 232.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-phenyl-1,3-thiazol-5-amine is sourced from PubChem (CID 62077156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).