1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea

C15H24N4O2S — CID 128858593

IUPAC1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea
SMILESCC1(C)CCc2sc(NC(=O)NCCN3CCOCC3)nc21
InChIInChI=1S/C15H24N4O2S/c1-15(2)4-3-11-12(15)17-14(22-11)18-13(20)16-5-6-19-7-9-21-10-8-19/h3-10H2,1-2H3,(H2,16,17,18,20)
InChIKeyNLCISFDXGLVCTP-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.82
Rot. Bonds4

About 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea

1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 128858593) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID128858593
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea
SMILESCC1(C)CCc2sc(NC(=O)NCCN3CCOCC3)nc21
InChIInChI=1S/C15H24N4O2S/c1-15(2)4-3-11-12(15)17-14(22-11)18-13(20)16-5-6-19-7-9-21-10-8-19/h3-10H2,1-2H3,(H2,16,17,18,20)
InChIKeyNLCISFDXGLVCTP-UHFFFAOYSA-N
XLogP1.82
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea (CID 128858593) is 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea is CC1(C)CCc2sc(NC(=O)NCCN3CCOCC3)nc21.
What is the InChIKey of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is NLCISFDXGLVCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-15(2)4-3-11-12(15)17-14(22-11)18-13(20)16-5-6-19-7-9-21-10-8-19/h3-10H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea?
1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 324.45 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 128858593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).