N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine

C19H13FN6OS — CID 58541818

IUPACN-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)n1
InChIInChI=1S/C19H13FN6OS/c1-11-10-28-18(22-11)25-17-21-7-6-14(23-17)16-15(12-2-4-13(20)5-3-12)24-19-26(16)8-9-27-19/h2-10H,1H3,(H,21,22,23,25)
InChIKeyKKQANSDDLLUCJO-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.70
Rot. Bonds4

About N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine

N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 58541818) has the molecular formula C19H13FN6OS and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID58541818
Molecular FormulaC19H13FN6OS
Molecular Weight392.42 g/mol
Exact Mass392.09
IUPAC NameN-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)n1
InChIInChI=1S/C19H13FN6OS/c1-11-10-28-18(22-11)25-17-21-7-6-14(23-17)16-15(12-2-4-13(20)5-3-12)24-19-26(16)8-9-27-19/h2-10H,1H3,(H,21,22,23,25)
InChIKeyKKQANSDDLLUCJO-UHFFFAOYSA-N
XLogP4.70
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine (CID 58541818) is N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)n1.
What is the InChIKey of N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is KKQANSDDLLUCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6OS/c1-11-10-28-18(22-11)25-17-21-7-6-14(23-17)16-15(12-2-4-13(20)5-3-12)24-19-26(16)8-9-27-19/h2-10H,1H3,(H,21,22,23,25).
What are the key properties of N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine?
N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 392.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 58541818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).