N-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine

C23H24N4O2S2 — CID 59913276

IUPACN-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESC=C(Cc1nc(-c2ccccc2)oc1C)Nc1ncc(SCc2ncc(C(C)C)o2)s1
InChIInChI=1S/C23H24N4O2S2/c1-14(2)19-11-24-20(29-19)13-30-21-12-25-23(31-21)26-15(3)10-18-16(4)28-22(27-18)17-8-6-5-7-9-17/h5-9,11-12,14H,3,10,13H2,1-2,4H3,(H,25,26)
InChIKeyMRHVCIABVWLPIQ-UHFFFAOYSA-N
MW452.61 g/mol
LogP6.68
Rot. Bonds9

About N-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine

N-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 59913276) has the molecular formula C23H24N4O2S2 and a molecular weight of 452.61 g/mol. Its IUPAC name is N-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID59913276
Molecular FormulaC23H24N4O2S2
Molecular Weight452.61 g/mol
Exact Mass452.13
IUPAC NameN-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
SMILESC=C(Cc1nc(-c2ccccc2)oc1C)Nc1ncc(SCc2ncc(C(C)C)o2)s1
InChIInChI=1S/C23H24N4O2S2/c1-14(2)19-11-24-20(29-19)13-30-21-12-25-23(31-21)26-15(3)10-18-16(4)28-22(27-18)17-8-6-5-7-9-17/h5-9,11-12,14H,3,10,13H2,1-2,4H3,(H,25,26)
InChIKeyMRHVCIABVWLPIQ-UHFFFAOYSA-N
XLogP6.68
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.61
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine (CID 59913276) is N-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine is C=C(Cc1nc(-c2ccccc2)oc1C)Nc1ncc(SCc2ncc(C(C)C)o2)s1.
What is the InChIKey of N-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is MRHVCIABVWLPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S2/c1-14(2)19-11-24-20(29-19)13-30-21-12-25-23(31-21)26-15(3)10-18-16(4)28-22(27-18)17-8-6-5-7-9-17/h5-9,11-12,14H,3,10,13H2,1-2,4H3,(H,25,26).
What are the key properties of N-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine?
N-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 452.61 g/mol, XLogP of 6.68, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-en-2-yl]-5-[(5-propan-2-yl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 59913276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).