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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Related Compounds

4-ethyl-2-phenyl-1,3-thiazol-5-amine
CID 62076991
5-butyl-2,4-diphenyl-1,3-thiazole
CID 58626562
4-butyl-N-methyl-2-(4-phenylmethoxyphenyl)-1,3-thiazol-5-amine;ethane
CID 143616512
5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole
CID 142193708
4-benzyl-5-butyl-2-(4-chlorophenyl)-1,3-thiazole
CID 46862434
5-benzyl-4-butyl-1,3-thiazol-2-amine;hydrobromide
CID 141313794
5-amino-4-butyl-1,3-thiazole-2-carboxylic acid
CID 174954459
5-butyl-2-phenyl-1,3-thiazole
CID 67548106
4-butyl-5,6-dimethyl-2-phenylpyrimidine
CID 138967628
2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine
CID 66129756
5-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 69099087
3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82431422

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).