4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide

C10H16N2O2S — CID 64929974

IUPAC4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCC(C)O)cc1N
InChIInChI=1S/C10H16N2O2S/c1-6(13)3-4-12-10(14)9-5-8(11)7(2)15-9/h5-6,13H,3-4,11H2,1-2H3,(H,12,14)
InChIKeyUSQRPFWLEUPJHF-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.14
Rot. Bonds4

About 4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide

4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide (PubChem CID 64929974) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
PubChem CID64929974
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCC(C)O)cc1N
InChIInChI=1S/C10H16N2O2S/c1-6(13)3-4-12-10(14)9-5-8(11)7(2)15-9/h5-6,13H,3-4,11H2,1-2H3,(H,12,14)
InChIKeyUSQRPFWLEUPJHF-UHFFFAOYSA-N
XLogP1.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63982394
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239032
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-methylthiophene-2-carboxamide
CID 62635362
4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61117048
4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide
CID 65310256
4-amino-5-methyl-N-(2-thiomorpholin-4-ylethyl)thiophene-2-carboxamide
CID 114173699
4-amino-N-[2-(2-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61093123
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide
CID 107819621
4-amino-5-methyl-N-[2-(N-methylanilino)ethyl]thiophene-2-carboxamide
CID 61113294
4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 106899155

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide (CID 64929974) is 4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NCCC(C)O)cc1N.
What is the InChIKey of 4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide?
The InChIKey is USQRPFWLEUPJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-6(13)3-4-12-10(14)9-5-8(11)7(2)15-9/h5-6,13H,3-4,11H2,1-2H3,(H,12,14).
What are the key properties of 4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide?
4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 64929974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).