[2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone

C18H24N4O2S — CID 68608549

IUPAC[2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(-c2sc(N(C)C)nc2C(=O)N2CCOC2CN)cc1C
InChIInChI=1S/C18H24N4O2S/c1-11-5-6-13(9-12(11)2)16-15(20-18(25-16)21(3)4)17(23)22-7-8-24-14(22)10-19/h5-6,9,14H,7-8,10,19H2,1-4H3
InChIKeyVCZLFGYDLDKUHJ-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.25
Rot. Bonds4

About [2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone

[2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 68608549) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone
PubChem CID68608549
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name[2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(-c2sc(N(C)C)nc2C(=O)N2CCOC2CN)cc1C
InChIInChI=1S/C18H24N4O2S/c1-11-5-6-13(9-12(11)2)16-15(20-18(25-16)21(3)4)17(23)22-7-8-24-14(22)10-19/h5-6,9,14H,7-8,10,19H2,1-4H3
InChIKeyVCZLFGYDLDKUHJ-UHFFFAOYSA-N
XLogP2.25
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone (CID 68608549) is [2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone is Cc1ccc(-c2sc(N(C)C)nc2C(=O)N2CCOC2CN)cc1C.
What is the InChIKey of [2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is VCZLFGYDLDKUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-11-5-6-13(9-12(11)2)16-15(20-18(25-16)21(3)4)17(23)22-7-8-24-14(22)10-19/h5-6,9,14H,7-8,10,19H2,1-4H3.
What are the key properties of [2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone?
[2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 360.48 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-(dimethylamino)-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 68608549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).