1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea

C16H26N4O2S — CID 95770692

IUPAC1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCc1csc(C2(NC(=O)NCCN3CCOCC3)CCCC2)n1
InChIInChI=1S/C16H26N4O2S/c1-13-12-23-14(18-13)16(4-2-3-5-16)19-15(21)17-6-7-20-8-10-22-11-9-20/h12H,2-11H2,1H3,(H2,17,19,21)
InChIKeyLZIMJARIYDJXPA-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.85
Rot. Bonds5

About 1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea

1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 95770692) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID95770692
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCc1csc(C2(NC(=O)NCCN3CCOCC3)CCCC2)n1
InChIInChI=1S/C16H26N4O2S/c1-13-12-23-14(18-13)16(4-2-3-5-16)19-15(21)17-6-7-20-8-10-22-11-9-20/h12H,2-11H2,1H3,(H2,17,19,21)
InChIKeyLZIMJARIYDJXPA-UHFFFAOYSA-N
XLogP1.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea (CID 95770692) is 1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea is Cc1csc(C2(NC(=O)NCCN3CCOCC3)CCCC2)n1.
What is the InChIKey of 1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is LZIMJARIYDJXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-13-12-23-14(18-13)16(4-2-3-5-16)19-15(21)17-6-7-20-8-10-22-11-9-20/h12H,2-11H2,1H3,(H2,17,19,21).
What are the key properties of 1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea?
1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 338.48 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 95770692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).