2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide

C12H20N2OS — CID 43367155

IUPAC2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide
SMILESCCCCCc1sc(N)c(C(=O)NC)c1C
InChIInChI=1S/C12H20N2OS/c1-4-5-6-7-9-8(2)10(11(13)16-9)12(15)14-3/h4-7,13H2,1-3H3,(H,14,15)
InChIKeyCYKQMKFTCAQSMU-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.73
Rot. Bonds5

About 2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide

2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide (PubChem CID 43367155) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide
PubChem CID43367155
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide
SMILESCCCCCc1sc(N)c(C(=O)NC)c1C
InChIInChI=1S/C12H20N2OS/c1-4-5-6-7-9-8(2)10(11(13)16-9)12(15)14-3/h4-7,13H2,1-3H3,(H,14,15)
InChIKeyCYKQMKFTCAQSMU-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-ethyl-4-methyl-5-pentylthiophene-3-carboxamide
CID 43367182
methyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate
CID 29006766
ethyl 2-amino-5-hexyl-4-methylthiophene-3-carboxylate
CID 29006756
methyl 2-amino-5-butyl-4-methylthiophene-3-carboxylate
CID 45097998
2-amino-5-hexyl-N,N,4-trimethylthiophene-3-carboxamide
CID 43174820
(2-amino-4-methyl-5-pentylthiophen-3-yl)-phenylmethanone
CID 65355046
5-amino-2-N,2-N,4-N,3-tetramethylthiophene-2,4-dicarboxamide
CID 64975344
methyl 2-amino-5-pentyl-4-phenylthiophene-3-carboxylate
CID 71668939
ethyl 2-amino-5-methyl-4-pentylthiophene-3-carboxylate
CID 68514923
2-bromo-5-hexyl-4-methylthiophen-3-amine
CID 114749215
methyl 2-amino-4-methyl-5-(2-methylpropyl)thiophene-3-carboxylate
CID 146013023
ethyl 5-amino-3-tert-butyl-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 64892023

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide (CID 43367155) is 2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide is CCCCCc1sc(N)c(C(=O)NC)c1C.
What is the InChIKey of 2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide?
The InChIKey is CYKQMKFTCAQSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-5-6-7-9-8(2)10(11(13)16-9)12(15)14-3/h4-7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide?
2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4-dimethyl-5-pentylthiophene-3-carboxamide is sourced from PubChem (CID 43367155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).