2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine

C15H16N4S — CID 66129756

IUPAC2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine
SMILESCCCn1cncc1-c1nc(-c2ccccc2)sc1N
InChIInChI=1S/C15H16N4S/c1-2-8-19-10-17-9-12(19)13-14(16)20-15(18-13)11-6-4-3-5-7-11/h3-7,9-10H,2,8,16H2,1H3
InChIKeyPJEYJYFNXWHDBE-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.67
Rot. Bonds4

About 2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine

2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine (PubChem CID 66129756) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine
PubChem CID66129756
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine
SMILESCCCn1cncc1-c1nc(-c2ccccc2)sc1N
InChIInChI=1S/C15H16N4S/c1-2-8-19-10-17-9-12(19)13-14(16)20-15(18-13)11-6-4-3-5-7-11/h3-7,9-10H,2,8,16H2,1H3
InChIKeyPJEYJYFNXWHDBE-UHFFFAOYSA-N
XLogP3.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine?
The IUPAC name of 2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine (CID 66129756) is 2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine is CCCn1cncc1-c1nc(-c2ccccc2)sc1N.
What is the InChIKey of 2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine?
The InChIKey is PJEYJYFNXWHDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-8-19-10-17-9-12(19)13-14(16)20-15(18-13)11-6-4-3-5-7-11/h3-7,9-10H,2,8,16H2,1H3.
What are the key properties of 2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine?
2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine has a molecular weight of 284.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-propylimidazol-4-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 66129756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).