1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea

C13H18N4OS — CID 110661647

IUPAC1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea
SMILESO=C(NCCc1cn2ccsc2n1)NC1CCCC1
InChIInChI=1S/C13H18N4OS/c18-12(15-10-3-1-2-4-10)14-6-5-11-9-17-7-8-19-13(17)16-11/h7-10H,1-6H2,(H2,14,15,18)
InChIKeyQHVRWBNWWVCAAX-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.18
Rot. Bonds4

About 1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea

1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea (PubChem CID 110661647) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea
PubChem CID110661647
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea
SMILESO=C(NCCc1cn2ccsc2n1)NC1CCCC1
InChIInChI=1S/C13H18N4OS/c18-12(15-10-3-1-2-4-10)14-6-5-11-9-17-7-8-19-13(17)16-11/h7-10H,1-6H2,(H2,14,15,18)
InChIKeyQHVRWBNWWVCAAX-UHFFFAOYSA-N
XLogP2.18
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea?
The IUPAC name of 1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea (CID 110661647) is 1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea is O=C(NCCc1cn2ccsc2n1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea?
The InChIKey is QHVRWBNWWVCAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c18-12(15-10-3-1-2-4-10)14-6-5-11-9-17-7-8-19-13(17)16-11/h7-10H,1-6H2,(H2,14,15,18).
What are the key properties of 1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea?
1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea has a molecular weight of 278.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea is sourced from PubChem (CID 110661647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).