4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide

C13H18N2OS — CID 54959114

IUPAC4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC(C2CC2)C2CC2)cc1N
InChIInChI=1S/C13H18N2OS/c1-7-10(14)6-11(17-7)13(16)15-12(8-2-3-8)9-4-5-9/h6,8-9,12H,2-5,14H2,1H3,(H,15,16)
InChIKeyAXBUPGGGFKJQNH-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.56
Rot. Bonds4

About 4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide

4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide (PubChem CID 54959114) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide
PubChem CID54959114
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC(C2CC2)C2CC2)cc1N
InChIInChI=1S/C13H18N2OS/c1-7-10(14)6-11(17-7)13(16)15-12(8-2-3-8)9-4-5-9/h6,8-9,12H,2-5,14H2,1H3,(H,15,16)
InChIKeyAXBUPGGGFKJQNH-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide
CID 65310256
4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide
CID 31030719
4-amino-5-methyl-N-[(3-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 114129368
5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide
CID 79990489
4-amino-5-methyl-N-(oxolan-3-yl)thiophene-2-carboxamide
CID 80717145
4-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-methylthiophene-2-carboxamide
CID 107843269
4-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61118574
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792433
4-amino-5-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 61089790
N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 30372793
4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 114150699

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide (CID 54959114) is 4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NC(C2CC2)C2CC2)cc1N.
What is the InChIKey of 4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide?
The InChIKey is AXBUPGGGFKJQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-7-10(14)6-11(17-7)13(16)15-12(8-2-3-8)9-4-5-9/h6,8-9,12H,2-5,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide?
4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 54959114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).