1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea

C15H19N5OS2 — CID 136588520

IUPAC1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea
SMILESCc1ccsc1-c1nsc(NC(=O)N[C@]23CCC[C@H]2CNC3)n1
InChIInChI=1S/C15H19N5OS2/c1-9-4-6-22-11(9)12-17-14(23-20-12)18-13(21)19-15-5-2-3-10(15)7-16-8-15/h4,6,10,16H,2-3,5,7-8H2,1H3,(H2,17,18,19,20,21)/t10-,15-/m0/s1
InChIKeyHCHOXSZSULGJHO-BONVTDFDSA-N
MW349.49 g/mol
LogP2.84
Rot. Bonds3

About 1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea

1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea (PubChem CID 136588520) has the molecular formula C15H19N5OS2 and a molecular weight of 349.49 g/mol. Its IUPAC name is 1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea.

Molecular Properties

Compound Name1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea
PubChem CID136588520
Molecular FormulaC15H19N5OS2
Molecular Weight349.49 g/mol
Exact Mass349.10
IUPAC Name1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea
SMILESCc1ccsc1-c1nsc(NC(=O)N[C@]23CCC[C@H]2CNC3)n1
InChIInChI=1S/C15H19N5OS2/c1-9-4-6-22-11(9)12-17-14(23-20-12)18-13(21)19-15-5-2-3-10(15)7-16-8-15/h4,6,10,16H,2-3,5,7-8H2,1H3,(H2,17,18,19,20,21)/t10-,15-/m0/s1
InChIKeyHCHOXSZSULGJHO-BONVTDFDSA-N
XLogP2.84
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea with MolForge

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Related Compounds

1-Butan-2-yl-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea
CID 137924635
(3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 167930033

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea?
The IUPAC name of 1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea (CID 136588520) is 1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea.
What is the SMILES notation for 1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea?
The canonical SMILES for 1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea is Cc1ccsc1-c1nsc(NC(=O)N[C@]23CCC[C@H]2CNC3)n1.
What is the InChIKey of 1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea?
The InChIKey is HCHOXSZSULGJHO-BONVTDFDSA-N. The full InChI is InChI=1S/C15H19N5OS2/c1-9-4-6-22-11(9)12-17-14(23-20-12)18-13(21)19-15-5-2-3-10(15)7-16-8-15/h4,6,10,16H,2-3,5,7-8H2,1H3,(H2,17,18,19,20,21)/t10-,15-/m0/s1.
What are the key properties of 1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea?
1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea has a molecular weight of 349.49 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-3-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]urea is sourced from PubChem (CID 136588520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).