1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea

C18H28N4OS — CID 71925243

IUPAC1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1csc(N2CCCC2)n1)N(C1CCCC1)C1CC1
InChIInChI=1S/C18H28N4OS/c23-17(22(16-7-8-16)15-5-1-2-6-15)19-10-9-14-13-24-18(20-14)21-11-3-4-12-21/h13,15-16H,1-12H2,(H,19,23)
InChIKeyJRNTZVFRCDZVMO-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.40
Rot. Bonds6

About 1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea

1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 71925243) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID71925243
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1csc(N2CCCC2)n1)N(C1CCCC1)C1CC1
InChIInChI=1S/C18H28N4OS/c23-17(22(16-7-8-16)15-5-1-2-6-15)19-10-9-14-13-24-18(20-14)21-11-3-4-12-21/h13,15-16H,1-12H2,(H,19,23)
InChIKeyJRNTZVFRCDZVMO-UHFFFAOYSA-N
XLogP3.40
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea (CID 71925243) is 1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea is O=C(NCCc1csc(N2CCCC2)n1)N(C1CCCC1)C1CC1.
What is the InChIKey of 1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is JRNTZVFRCDZVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c23-17(22(16-7-8-16)15-5-1-2-6-15)19-10-9-14-13-24-18(20-14)21-11-3-4-12-21/h13,15-16H,1-12H2,(H,19,23).
What are the key properties of 1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea?
1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 348.52 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-cyclopropyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 71925243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).