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

C14H23N5OS — CID 58430656

IUPAC1-cyclopentyl-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCC1CCN(c2nnc(NC(=O)NC3CCCC3)s2)CC1
InChIInChI=1S/C14H23N5OS/c1-10-6-8-19(9-7-10)14-18-17-13(21-14)16-12(20)15-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,15,16,17,20)
InChIKeyIAVLJVZMHHXIEM-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.84
Rot. Bonds3

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

1-cyclopentyl-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 58430656) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID58430656
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name1-cyclopentyl-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCC1CCN(c2nnc(NC(=O)NC3CCCC3)s2)CC1
InChIInChI=1S/C14H23N5OS/c1-10-6-8-19(9-7-10)14-18-17-13(21-14)16-12(20)15-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,15,16,17,20)
InChIKeyIAVLJVZMHHXIEM-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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Related Compounds

1-Cyclopentyl-3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 53317856
1-Cyclopentyl-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 22510776
1-(Piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 50949943
1-cyclopentyl-3-[5-[4-[(3S)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]urea
CID 58430450
1-Cyclopentyl-3-[5-[4-(4-fluoropiperidin-1-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]urea
CID 58430516
1-Cyclopentyl-3-[5-[4-(3-fluoropiperidin-1-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]urea
CID 58430525
1-cyclopentyl-3-[5-[4-[(3R)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]-1,3,4-thiadiazol-2-yl]urea
CID 58430587
1-[5-[2-(Azetidin-3-yl)ethyl-(2-fluoroethyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea
CID 89082928
1-Cyclopentyl-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 22510735
3-{5-[Cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-YL}-1-cyclopentylurea
CID 22510809
1-[5-[Bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl]-3-cyclopentylurea
CID 22510841
4-[5-(cyclopentylcarbamoylamino)-1,3,4-thiadiazol-2-yl]-N-ethylpiperazine-1-carboxamide
CID 45257175

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-cyclopentyl-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea (CID 58430656) is 1-cyclopentyl-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-cyclopentyl-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea is CC1CCN(c2nnc(NC(=O)NC3CCCC3)s2)CC1.
What is the InChIKey of 1-cyclopentyl-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is IAVLJVZMHHXIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-10-6-8-19(9-7-10)14-18-17-13(21-14)16-12(20)15-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,15,16,17,20).
What are the key properties of 1-cyclopentyl-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
1-cyclopentyl-3-[5-(4-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-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 58430656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).