2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide

C11H18N2OS — CID 43367236

IUPAC2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide
SMILESCC(C)NC(=O)c1c(C(C)C)csc1N
InChIInChI=1S/C11H18N2OS/c1-6(2)8-5-15-10(12)9(8)11(14)13-7(3)4/h5-7H,12H2,1-4H3,(H,13,14)
InChIKeyBKNOJCMIRQOXAN-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.59
Rot. Bonds3

About 2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide

2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide (PubChem CID 43367236) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide
PubChem CID43367236
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide
SMILESCC(C)NC(=O)c1c(C(C)C)csc1N
InChIInChI=1S/C11H18N2OS/c1-6(2)8-5-15-10(12)9(8)11(14)13-7(3)4/h5-7H,12H2,1-4H3,(H,13,14)
InChIKeyBKNOJCMIRQOXAN-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate
CID 82056859
2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide
CID 71009749
5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 117214875
2-amino-N,5-di(propan-2-yl)thiophene-3-carboxamide
CID 43174802
2-amino-5-(4-fluorophenyl)-4-methyl-N-propan-2-ylthiophene-3-carboxamide
CID 114830947
N,2-di(propan-2-yl)benzamide
CID 14972595
N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide
CID 176998061
propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 64975274
methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate
CID 15889788
N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 23525711
5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 65355092
6-methyl-N,5-di(propan-2-yl)pyridine-3-carboxamide
CID 170617850

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide (CID 43367236) is 2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide is CC(C)NC(=O)c1c(C(C)C)csc1N.
What is the InChIKey of 2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide?
The InChIKey is BKNOJCMIRQOXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-6(2)8-5-15-10(12)9(8)11(14)13-7(3)4/h5-7H,12H2,1-4H3,(H,13,14).
What are the key properties of 2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide?
2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide has a molecular weight of 226.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4-di(propan-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 43367236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).