1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea

C14H24N6OS — CID 45376677

IUPAC1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCCN1CCN(c2nnc(NC(=O)NC3CCCC3)s2)CC1
InChIInChI=1S/C14H24N6OS/c1-2-19-7-9-20(10-8-19)14-18-17-13(22-14)16-12(21)15-11-5-3-4-6-11/h11H,2-10H2,1H3,(H2,15,16,17,21)
InChIKeyJFVUNBYANWPYGH-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.74
Rot. Bonds4

About 1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea

1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 45376677) has the molecular formula C14H24N6OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID45376677
Molecular FormulaC14H24N6OS
Molecular Weight324.45 g/mol
Exact Mass324.17
IUPAC Name1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCCN1CCN(c2nnc(NC(=O)NC3CCCC3)s2)CC1
InChIInChI=1S/C14H24N6OS/c1-2-19-7-9-20(10-8-19)14-18-17-13(22-14)16-12(21)15-11-5-3-4-6-11/h11H,2-10H2,1H3,(H2,15,16,17,21)
InChIKeyJFVUNBYANWPYGH-UHFFFAOYSA-N
XLogP1.74
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea (CID 45376677) is 1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea is CCN1CCN(c2nnc(NC(=O)NC3CCCC3)s2)CC1.
What is the InChIKey of 1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is JFVUNBYANWPYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6OS/c1-2-19-7-9-20(10-8-19)14-18-17-13(22-14)16-12(21)15-11-5-3-4-6-11/h11H,2-10H2,1H3,(H2,15,16,17,21).
What are the key properties of 1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 324.45 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 45376677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).