1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea

C14H23N3O2S — CID 75517849

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
SMILESCc1ncsc1CNC(=O)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H23N3O2S/c1-9-10(20-8-16-9)7-15-12(18)17-11-6-13(2,3)19-14(11,4)5/h8,11H,6-7H2,1-5H3,(H2,15,17,18)
InChIKeyAORFSGRTIZDAJL-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.60
Rot. Bonds3

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

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea (PubChem CID 75517849) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
PubChem CID75517849
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea
SMILESCc1ncsc1CNC(=O)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H23N3O2S/c1-9-10(20-8-16-9)7-15-12(18)17-11-6-13(2,3)19-14(11,4)5/h8,11H,6-7H2,1-5H3,(H2,15,17,18)
InChIKeyAORFSGRTIZDAJL-UHFFFAOYSA-N
XLogP2.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea (CID 75517849) is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea is Cc1ncsc1CNC(=O)NC1CC(C)(C)OC1(C)C.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
The InChIKey is AORFSGRTIZDAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9-10(20-8-16-9)7-15-12(18)17-11-6-13(2,3)19-14(11,4)5/h8,11H,6-7H2,1-5H3,(H2,15,17,18).
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea?
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea has a molecular weight of 297.42 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,2,5,5-tetramethyloxolan-3-yl)urea is sourced from PubChem (CID 75517849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).