4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide

C12H14N6OS — CID 71794942

IUPAC4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C12H14N6OS/c1-8-11(20-17-16-8)12(19)15-9-6-10(14-7-13-9)18-4-2-3-5-18/h6-7H,2-5H2,1H3,(H,13,14,15,19)
InChIKeyDRWMXODKAJUZOU-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.49
Rot. Bonds3

About 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide

4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide (PubChem CID 71794942) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide
PubChem CID71794942
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C12H14N6OS/c1-8-11(20-17-16-8)12(19)15-9-6-10(14-7-13-9)18-4-2-3-5-18/h6-7H,2-5H2,1H3,(H,13,14,15,19)
InChIKeyDRWMXODKAJUZOU-UHFFFAOYSA-N
XLogP1.49
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide (CID 71794942) is 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cc(N2CCCC2)ncn1.
What is the InChIKey of 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide?
The InChIKey is DRWMXODKAJUZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-8-11(20-17-16-8)12(19)15-9-6-10(14-7-13-9)18-4-2-3-5-18/h6-7H,2-5H2,1H3,(H,13,14,15,19).
What are the key properties of 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide?
4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 71794942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).