4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide

C13H16N4OS — CID 118432634

IUPAC4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cnn(C)c2)cc1C1CC1N
InChIInChI=1S/C13H16N4OS/c1-7-9(10-3-11(10)14)4-12(19-7)13(18)16-8-5-15-17(2)6-8/h4-6,10-11H,3,14H2,1-2H3,(H,16,18)
InChIKeyUWICMNNSWDCAGQ-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.86
Rot. Bonds3

About 4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide

4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 118432634) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID118432634
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)Nc2cnn(C)c2)cc1C1CC1N
InChIInChI=1S/C13H16N4OS/c1-7-9(10-3-11(10)14)4-12(19-7)13(18)16-8-5-15-17(2)6-8/h4-6,10-11H,3,14H2,1-2H3,(H,16,18)
InChIKeyUWICMNNSWDCAGQ-UHFFFAOYSA-N
XLogP1.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide (CID 118432634) is 4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide is Cc1sc(C(=O)Nc2cnn(C)c2)cc1C1CC1N.
What is the InChIKey of 4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is UWICMNNSWDCAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-7-9(10-3-11(10)14)4-12(19-7)13(18)16-8-5-15-17(2)6-8/h4-6,10-11H,3,14H2,1-2H3,(H,16,18).
What are the key properties of 4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide?
4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclopropyl)-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 118432634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).