4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide

C9H14N2O3S — CID 65310256

IUPAC4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC(CO)CO)cc1N
InChIInChI=1S/C9H14N2O3S/c1-5-7(10)2-8(15-5)9(14)11-6(3-12)4-13/h2,6,12-13H,3-4,10H2,1H3,(H,11,14)
InChIKeyZDTOKSQHYWTAHW-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.28
Rot. Bonds4

About 4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide

4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide (PubChem CID 65310256) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide
PubChem CID65310256
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC(CO)CO)cc1N
InChIInChI=1S/C9H14N2O3S/c1-5-7(10)2-8(15-5)9(14)11-6(3-12)4-13/h2,6,12-13H,3-4,10H2,1H3,(H,11,14)
InChIKeyZDTOKSQHYWTAHW-UHFFFAOYSA-N
XLogP-0.28
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 114150699
4-amino-N-(dicyclopropylmethyl)-5-methylthiophene-2-carboxamide
CID 54959114
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
CID 64929974
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
2-hydroxyethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61316008
4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140208
4-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61118574
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylthiophene-2-carboxamide
CID 79990049
4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63982394
4-amino-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-carboxamide
CID 106387400
4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 106899155

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide (CID 65310256) is 4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NC(CO)CO)cc1N.
What is the InChIKey of 4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is ZDTOKSQHYWTAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-5-7(10)2-8(15-5)9(14)11-6(3-12)4-13/h2,6,12-13H,3-4,10H2,1H3,(H,11,14).
What are the key properties of 4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide?
4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 230.29 g/mol, XLogP of -0.28, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-dihydroxypropan-2-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 65310256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).