N-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C14H10F3N3OS — CID 143518004

IUPACN-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ncco2)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H10F3N3OS/c1-18-13-20-10(12-19-5-6-21-12)11(22-13)8-3-2-4-9(7-8)14(15,16)17/h2-7H,1H3,(H,18,20)
InChIKeyRSLZONYXCGIIGO-UHFFFAOYSA-N
MW325.32 g/mol
LogP4.53
Rot. Bonds3

About N-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

N-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 143518004) has the molecular formula C14H10F3N3OS and a molecular weight of 325.32 g/mol. Its IUPAC name is N-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID143518004
Molecular FormulaC14H10F3N3OS
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC NameN-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ncco2)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H10F3N3OS/c1-18-13-20-10(12-19-5-6-21-12)11(22-13)8-3-2-4-9(7-8)14(15,16)17/h2-7H,1H3,(H,18,20)
InChIKeyRSLZONYXCGIIGO-UHFFFAOYSA-N
XLogP4.53
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 143518004) is N-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CNc1nc(-c2ncco2)c(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is RSLZONYXCGIIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS/c1-18-13-20-10(12-19-5-6-21-12)11(22-13)8-3-2-4-9(7-8)14(15,16)17/h2-7H,1H3,(H,18,20).
What are the key properties of N-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 325.32 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1,3-oxazol-2-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 143518004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).