5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

C11H19N5OS — CID 80617192

IUPAC5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC(C)CN2CCCC2)s1
InChIInChI=1S/C11H19N5OS/c1-8(7-16-5-3-4-6-16)13-9(17)10-14-15-11(12-2)18-10/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17)
InChIKeyHKCGUMRPZPHSOL-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.79
Rot. Bonds5

About 5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617192) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617192
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NC(C)CN2CCCC2)s1
InChIInChI=1S/C11H19N5OS/c1-8(7-16-5-3-4-6-16)13-9(17)10-14-15-11(12-2)18-10/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17)
InChIKeyHKCGUMRPZPHSOL-UHFFFAOYSA-N
XLogP0.79
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617293
5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625100
5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617367
5-(methylamino)-N-(4-phenylbutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617189
N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616493
N-(2-methoxypropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102700572
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60954918
5-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyrazine-2-carboxamide
CID 107375348
N-(1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 61217024
5-bromo-2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62178901

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80617192) is 5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NC(C)CN2CCCC2)s1.
What is the InChIKey of 5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is HKCGUMRPZPHSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-8(7-16-5-3-4-6-16)13-9(17)10-14-15-11(12-2)18-10/h8H,3-7H2,1-2H3,(H,12,15)(H,13,17).
What are the key properties of 5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).