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

C14H23N5OS — CID 22510735

IUPAC1-cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCC1CCCN(c2nnc(NC(=O)NC3CCCC3)s2)C1
InChIInChI=1S/C14H23N5OS/c1-10-5-4-8-19(9-10)14-18-17-13(21-14)16-12(20)15-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H2,15,16,17,20)
InChIKeyAPVSEAMUDYEWGE-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.84
Rot. Bonds3

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

1-cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 22510735) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID22510735
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name1-cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCC1CCCN(c2nnc(NC(=O)NC3CCCC3)s2)C1
InChIInChI=1S/C14H23N5OS/c1-10-5-4-8-19(9-10)14-18-17-13(21-14)16-12(20)15-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H2,15,16,17,20)
InChIKeyAPVSEAMUDYEWGE-UHFFFAOYSA-N
XLogP2.84
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea (CID 22510735) is 1-cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea is CC1CCCN(c2nnc(NC(=O)NC3CCCC3)s2)C1.
What is the InChIKey of 1-cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is APVSEAMUDYEWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-10-5-4-8-19(9-10)14-18-17-13(21-14)16-12(20)15-11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H2,15,16,17,20).
What are the key properties of 1-cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
1-cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 309.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 22510735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).