3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea

C15H19N3O2S — CID 136540281

IUPAC3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1occc1CN(C)C(=O)Nc1nc(C2CCC2)cs1
InChIInChI=1S/C15H19N3O2S/c1-10-12(6-7-20-10)8-18(2)15(19)17-14-16-13(9-21-14)11-4-3-5-11/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17,19)
InChIKeyBGWXEZNEMDTUSX-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.98
Rot. Bonds4

About 3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea

3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea (PubChem CID 136540281) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
PubChem CID136540281
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
SMILESCc1occc1CN(C)C(=O)Nc1nc(C2CCC2)cs1
InChIInChI=1S/C15H19N3O2S/c1-10-12(6-7-20-10)8-18(2)15(19)17-14-16-13(9-21-14)11-4-3-5-11/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17,19)
InChIKeyBGWXEZNEMDTUSX-UHFFFAOYSA-N
XLogP3.98
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea?
The IUPAC name of 3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea (CID 136540281) is 3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea.
What is the SMILES notation for 3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea?
The canonical SMILES for 3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea is Cc1occc1CN(C)C(=O)Nc1nc(C2CCC2)cs1.
What is the InChIKey of 3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea?
The InChIKey is BGWXEZNEMDTUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-12(6-7-20-10)8-18(2)15(19)17-14-16-13(9-21-14)11-4-3-5-11/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,17,19).
What are the key properties of 3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea?
3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea has a molecular weight of 305.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclobutyl-1,3-thiazol-2-yl)-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea is sourced from PubChem (CID 136540281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).