3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea

C15H23N3O2S — CID 128858851

IUPAC3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCN(CC1CCOC1)C(=O)Nc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C15H23N3O2S/c1-15(2)6-4-11-12(15)16-13(21-11)17-14(19)18(3)8-10-5-7-20-9-10/h10H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyMZLRACRNGKTFST-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.87
Rot. Bonds3

About 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea

3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea (PubChem CID 128858851) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea
PubChem CID128858851
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea
SMILESCN(CC1CCOC1)C(=O)Nc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C15H23N3O2S/c1-15(2)6-4-11-12(15)16-13(21-11)17-14(19)18(3)8-10-5-7-20-9-10/h10H,4-9H2,1-3H3,(H,16,17,19)
InChIKeyMZLRACRNGKTFST-UHFFFAOYSA-N
XLogP2.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The IUPAC name of 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea (CID 128858851) is 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea is CN(CC1CCOC1)C(=O)Nc1nc2c(s1)CCC2(C)C.
What is the InChIKey of 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
The InChIKey is MZLRACRNGKTFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-15(2)6-4-11-12(15)16-13(21-11)17-14(19)18(3)8-10-5-7-20-9-10/h10H,4-9H2,1-3H3,(H,16,17,19).
What are the key properties of 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea?
3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea has a molecular weight of 309.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 128858851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).