3-amino-5-tert-butylthiophene-2-carboxamide

C9H14N2OS — CID 2735293

IUPAC3-amino-5-tert-butylthiophene-2-carboxamide
SMILESCC(C)(C)c1cc(N)c(C(N)=O)s1
InChIInChI=1S/C9H14N2OS/c1-9(2,3)6-4-5(10)7(13-6)8(11)12/h4H,10H2,1-3H3,(H2,11,12)
InChIKeyMKHZJBZWKNDDCN-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.73
Rot. Bonds1

About 3-amino-5-tert-butylthiophene-2-carboxamide

3-amino-5-tert-butylthiophene-2-carboxamide (PubChem CID 2735293) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-amino-5-tert-butylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-tert-butylthiophene-2-carboxamide
PubChem CID2735293
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-amino-5-tert-butylthiophene-2-carboxamide
SMILESCC(C)(C)c1cc(N)c(C(N)=O)s1
InChIInChI=1S/C9H14N2OS/c1-9(2,3)6-4-5(10)7(13-6)8(11)12/h4H,10H2,1-3H3,(H2,11,12)
InChIKeyMKHZJBZWKNDDCN-UHFFFAOYSA-N
XLogP1.73
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-5-(3-thienyl)thiophene-2-carboxamide
CID 2807869
3-Amino-5-phenylthiophene-2-carboxamide
CID 2756534
1-(3-Amino-5-tert-butylthiophen-2-yl)ethan-1-one
CID 2777544
6-tert-Butyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 135400705
3-Amino-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 2782903
5-Tert-butyl-3-(3-oxobutanoylamino)thiophene-2-carboxamide
CID 4657452
3-Amino-5-[4-(tert-butyl)phenyl]thiophene-2-carboxamide
CID 2735292
5-Tert-butyl-3-[(2-cyanoacetyl)amino]thiophene-2-carboxamide
CID 2807852
5-Tert-butyl-3-[(2,2-dichloroacetyl)amino]thiophene-2-carboxamide
CID 2807836
5-Tert-butyl-3-[(4-fluorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 25047502
3-Amino-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 9835538
3-Amino-5-thiophen-2-ylthiophene-2-carboxamide
CID 2807881

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-tert-butylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-tert-butylthiophene-2-carboxamide (CID 2735293) is 3-amino-5-tert-butylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-tert-butylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-tert-butylthiophene-2-carboxamide is CC(C)(C)c1cc(N)c(C(N)=O)s1.
What is the InChIKey of 3-amino-5-tert-butylthiophene-2-carboxamide?
The InChIKey is MKHZJBZWKNDDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-9(2,3)6-4-5(10)7(13-6)8(11)12/h4H,10H2,1-3H3,(H2,11,12).
What are the key properties of 3-amino-5-tert-butylthiophene-2-carboxamide?
3-amino-5-tert-butylthiophene-2-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-tert-butylthiophene-2-carboxamide is sourced from PubChem (CID 2735293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).