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

C12H9N3OS — CID 2813816

IUPAC4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc(-c3ccccc3)no2)cs1
InChIInChI=1S/C12H9N3OS/c13-12-14-10(7-17-12)11-6-9(15-16-11)8-4-2-1-3-5-8/h1-7H,(H2,13,14)
InChIKeyFQDDGRPOSWOGTD-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.05
Rot. Bonds2

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

4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 2813816) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
PubChem CID2813816
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc(-c3ccccc3)no2)cs1
InChIInChI=1S/C12H9N3OS/c13-12-14-10(7-17-12)11-6-9(15-16-11)8-4-2-1-3-5-8/h1-7H,(H2,13,14)
InChIKeyFQDDGRPOSWOGTD-UHFFFAOYSA-N
XLogP3.05
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1164446
3-(4-Chlorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2-oxazole
CID 1471881
Benzaldehyde 1-[4-(5-methyl-3-phenylisoxazol-4-yl)-1,3-thiazol-2-yl]hydrazone
CID 9580998
N-(5-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 51002828
4-(3-phenyl-1,2-oxazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 51002927
N-(6-methyl-2-pyridinyl)-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine
CID 51002929
N-hydroxy-5-[3-oxo-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 126649211
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2089563
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2114663
5-(5-(4-(3-aminophenyl)thiazol-2-ylamino)-5-oxopentyl)-N-hydroxyisoxazole-3-carboxamide
CID 44219634
4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine
CID 44534547
N-hydroxy-5-(5-oxo-5-(4-phenylthiazol-2-ylamino)pentyl)isoxazole-3-carboxamide
CID 44574139

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine (CID 2813816) is 4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine is Nc1nc(-c2cc(-c3ccccc3)no2)cs1.
What is the InChIKey of 4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is FQDDGRPOSWOGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-12-14-10(7-17-12)11-6-9(15-16-11)8-4-2-1-3-5-8/h1-7H,(H2,13,14).
What are the key properties of 4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine?
4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 243.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2813816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).