2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid

C16H24N4O4S — CID 18969450

IUPAC2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid
SMILESO=C(O)COC1CCC(NC(=O)c2nnc(C3CCNCC3)s2)CC1
InChIInChI=1S/C16H24N4O4S/c21-13(22)9-24-12-3-1-11(2-4-12)18-14(23)16-20-19-15(25-16)10-5-7-17-8-6-10/h10-12,17H,1-9H2,(H,18,23)(H,21,22)
InChIKeyJXGUVOHUVUGRCV-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.15
Rot. Bonds6

About 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid

2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid (PubChem CID 18969450) has the molecular formula C16H24N4O4S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid
PubChem CID18969450
Molecular FormulaC16H24N4O4S
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid
SMILESO=C(O)COC1CCC(NC(=O)c2nnc(C3CCNCC3)s2)CC1
InChIInChI=1S/C16H24N4O4S/c21-13(22)9-24-12-3-1-11(2-4-12)18-14(23)16-20-19-15(25-16)10-5-7-17-8-6-10/h10-12,17H,1-9H2,(H,18,23)(H,21,22)
InChIKeyJXGUVOHUVUGRCV-UHFFFAOYSA-N
XLogP1.15
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid?
The IUPAC name of 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid (CID 18969450) is 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid.
What is the SMILES notation for 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid?
The canonical SMILES for 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid is O=C(O)COC1CCC(NC(=O)c2nnc(C3CCNCC3)s2)CC1.
What is the InChIKey of 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid?
The InChIKey is JXGUVOHUVUGRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4S/c21-13(22)9-24-12-3-1-11(2-4-12)18-14(23)16-20-19-15(25-16)10-5-7-17-8-6-10/h10-12,17H,1-9H2,(H,18,23)(H,21,22).
What are the key properties of 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid?
2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid has a molecular weight of 368.46 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-piperidin-4-yl-1,3,4-thiadiazole-2-carbonyl)amino]cyclohexyl]oxyacetic acid is sourced from PubChem (CID 18969450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).