N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide

C10H15NO3S — CID 66175829

IUPACN-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(O)CO)sc1C
InChIInChI=1S/C10H15NO3S/c1-6-3-9(15-7(6)2)10(14)11-4-8(13)5-12/h3,8,12-13H,4-5H2,1-2H3,(H,11,14)
InChIKeyBGAAFSKXCXFTMZ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.45
Rot. Bonds4

About N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide

N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 66175829) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID66175829
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(O)CO)sc1C
InChIInChI=1S/C10H15NO3S/c1-6-3-9(15-7(6)2)10(14)11-4-8(13)5-12/h3,8,12-13H,4-5H2,1-2H3,(H,11,14)
InChIKeyBGAAFSKXCXFTMZ-UHFFFAOYSA-N
XLogP0.45
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxypropyl]-4,5-dimethylthiophene-2-carboxamide
CID 83031116
N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
CID 114296674
N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 111426339
N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 60655347
N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide
CID 66176220
N-[2-(diethylamino)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 86982985
N-(2,2-diethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 78909936
N-(3-hydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 43391417
N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide
CID 115301198
N-(2-acetamidoethyl)-4,5-dimethylthiophene-2-carboxamide
CID 30596154
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 61153074
N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide
CID 66176243

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide (CID 66175829) is N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCC(O)CO)sc1C.
What is the InChIKey of N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is BGAAFSKXCXFTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-6-3-9(15-7(6)2)10(14)11-4-8(13)5-12/h3,8,12-13H,4-5H2,1-2H3,(H,11,14).
What are the key properties of N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide?
N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 66175829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).