3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen

C14H24N4OS — CID 145040146

IUPAC3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen
SMILESCC(C)N1C[C@@H](C)[C@@H](NC(=O)c2nc(C3CC3)ns2)C1.[H][H]
InChIInChI=1S/C14H22N4OS.H2/c1-8(2)18-6-9(3)11(7-18)15-13(19)14-16-12(17-20-14)10-4-5-10;/h8-11H,4-7H2,1-3H3,(H,15,19);1H/t9-,11+;/m1./s1
InChIKeySQEOSKFSYNYOTN-XQKZEKTMSA-N
MW296.44 g/mol
LogP2.12
Rot. Bonds4

About 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen

3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen (PubChem CID 145040146) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen
PubChem CID145040146
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen
SMILESCC(C)N1C[C@@H](C)[C@@H](NC(=O)c2nc(C3CC3)ns2)C1.[H][H]
InChIInChI=1S/C14H22N4OS.H2/c1-8(2)18-6-9(3)11(7-18)15-13(19)14-16-12(17-20-14)10-4-5-10;/h8-11H,4-7H2,1-3H3,(H,15,19);1H/t9-,11+;/m1./s1
InChIKeySQEOSKFSYNYOTN-XQKZEKTMSA-N
XLogP2.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen?
The IUPAC name of 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen (CID 145040146) is 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen?
The canonical SMILES for 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen is CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2nc(C3CC3)ns2)C1.[H][H].
What is the InChIKey of 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen?
The InChIKey is SQEOSKFSYNYOTN-XQKZEKTMSA-N. The full InChI is InChI=1S/C14H22N4OS.H2/c1-8(2)18-6-9(3)11(7-18)15-13(19)14-16-12(17-20-14)10-4-5-10;/h8-11H,4-7H2,1-3H3,(H,15,19);1H/t9-,11+;/m1./s1.
What are the key properties of 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen?
3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen has a molecular weight of 296.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 145040146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).