N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

C15H24N4OS — CID 166943313

IUPACN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESCC(C)(C)c1nsc(NC(=O)N2CC3CCCC3(C)C2)n1
InChIInChI=1S/C15H24N4OS/c1-14(2,3)11-16-12(21-18-11)17-13(20)19-8-10-6-5-7-15(10,4)9-19/h10H,5-9H2,1-4H3,(H,16,17,18,20)
InChIKeyVHELPKJCCIKDRH-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.49
Rot. Bonds1

About N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (PubChem CID 166943313) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
PubChem CID166943313
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESCC(C)(C)c1nsc(NC(=O)N2CC3CCCC3(C)C2)n1
InChIInChI=1S/C15H24N4OS/c1-14(2,3)11-16-12(21-18-11)17-13(20)19-8-10-6-5-7-15(10,4)9-19/h10H,5-9H2,1-4H3,(H,16,17,18,20)
InChIKeyVHELPKJCCIKDRH-UHFFFAOYSA-N
XLogP3.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (CID 166943313) is N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is CC(C)(C)c1nsc(NC(=O)N2CC3CCCC3(C)C2)n1.
What is the InChIKey of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is VHELPKJCCIKDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-14(2,3)11-16-12(21-18-11)17-13(20)19-8-10-6-5-7-15(10,4)9-19/h10H,5-9H2,1-4H3,(H,16,17,18,20).
What are the key properties of N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 166943313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).