1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea

C17H20N4O3S — CID 47051066

IUPAC1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
SMILESCc1ncc(CN(C)C(=O)Nc2ccc(CN3CCOC3=O)cc2)s1
InChIInChI=1S/C17H20N4O3S/c1-12-18-9-15(25-12)11-20(2)16(22)19-14-5-3-13(4-6-14)10-21-7-8-24-17(21)23/h3-6,9H,7-8,10-11H2,1-2H3,(H,19,22)
InChIKeyCYDBSSAFCUXWIU-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.07
Rot. Bonds5

About 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea

1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea (PubChem CID 47051066) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
PubChem CID47051066
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea
SMILESCc1ncc(CN(C)C(=O)Nc2ccc(CN3CCOC3=O)cc2)s1
InChIInChI=1S/C17H20N4O3S/c1-12-18-9-15(25-12)11-20(2)16(22)19-14-5-3-13(4-6-14)10-21-7-8-24-17(21)23/h3-6,9H,7-8,10-11H2,1-2H3,(H,19,22)
InChIKeyCYDBSSAFCUXWIU-UHFFFAOYSA-N
XLogP3.07
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea?
The IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea (CID 47051066) is 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea?
The canonical SMILES for 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea is Cc1ncc(CN(C)C(=O)Nc2ccc(CN3CCOC3=O)cc2)s1.
What is the InChIKey of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea?
The InChIKey is CYDBSSAFCUXWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-12-18-9-15(25-12)11-20(2)16(22)19-14-5-3-13(4-6-14)10-21-7-8-24-17(21)23/h3-6,9H,7-8,10-11H2,1-2H3,(H,19,22).
What are the key properties of 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea?
1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea has a molecular weight of 360.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]urea is sourced from PubChem (CID 47051066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).