1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea

C11H17N3O2S — CID 47222594

IUPAC1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea
SMILESCc1csc(CNC(=O)NCC2CCOC2)n1
InChIInChI=1S/C11H17N3O2S/c1-8-7-17-10(14-8)5-13-11(15)12-4-9-2-3-16-6-9/h7,9H,2-6H2,1H3,(H2,12,13,15)
InChIKeyRUCYSBDCGBVXAW-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.29
Rot. Bonds4

About 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea

1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea (PubChem CID 47222594) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea
PubChem CID47222594
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea
SMILESCc1csc(CNC(=O)NCC2CCOC2)n1
InChIInChI=1S/C11H17N3O2S/c1-8-7-17-10(14-8)5-13-11(15)12-4-9-2-3-16-6-9/h7,9H,2-6H2,1H3,(H2,12,13,15)
InChIKeyRUCYSBDCGBVXAW-UHFFFAOYSA-N
XLogP1.29
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.29
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-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea (CID 47222594) is 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea is Cc1csc(CNC(=O)NCC2CCOC2)n1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea?
The InChIKey is RUCYSBDCGBVXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-7-17-10(14-8)5-13-11(15)12-4-9-2-3-16-6-9/h7,9H,2-6H2,1H3,(H2,12,13,15).
What are the key properties of 1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea?
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea has a molecular weight of 255.34 g/mol, XLogP of 1.29, 4 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-2-yl)methyl]-3-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 47222594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).