N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine

C19H23N3OS — CID 36968025

IUPACN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESCc1cc(CN(C)Cc2csc(-c3ccc(C(C)C)cc3)n2)no1
InChIInChI=1S/C19H23N3OS/c1-13(2)15-5-7-16(8-6-15)19-20-18(12-24-19)11-22(4)10-17-9-14(3)23-21-17/h5-9,12-13H,10-11H2,1-4H3
InChIKeyMUDGZXFPSHMKAH-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.86
Rot. Bonds6

About N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine

N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine (PubChem CID 36968025) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine
PubChem CID36968025
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESCc1cc(CN(C)Cc2csc(-c3ccc(C(C)C)cc3)n2)no1
InChIInChI=1S/C19H23N3OS/c1-13(2)15-5-7-16(8-6-15)19-20-18(12-24-19)11-22(4)10-17-9-14(3)23-21-17/h5-9,12-13H,10-11H2,1-4H3
InChIKeyMUDGZXFPSHMKAH-UHFFFAOYSA-N
XLogP4.86
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine (CID 36968025) is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine is Cc1cc(CN(C)Cc2csc(-c3ccc(C(C)C)cc3)n2)no1.
What is the InChIKey of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine?
The InChIKey is MUDGZXFPSHMKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-13(2)15-5-7-16(8-6-15)19-20-18(12-24-19)11-22(4)10-17-9-14(3)23-21-17/h5-9,12-13H,10-11H2,1-4H3.
What are the key properties of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine?
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine has a molecular weight of 341.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]methanamine is sourced from PubChem (CID 36968025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).