3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide

C13H18N2O2S — CID 63801275

IUPAC3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CCO)C(=O)c1sccc1C#CCN
InChIInChI=1S/C13H18N2O2S/c1-10(2)15(7-8-16)13(17)12-11(4-3-6-14)5-9-18-12/h5,9-10,16H,6-8,14H2,1-2H3
InChIKeySXIXEHJQSDWFLA-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.90
Rot. Bonds4

About 3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 63801275) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID63801275
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CCO)C(=O)c1sccc1C#CCN
InChIInChI=1S/C13H18N2O2S/c1-10(2)15(7-8-16)13(17)12-11(4-3-6-14)5-9-18-12/h5,9-10,16H,6-8,14H2,1-2H3
InChIKeySXIXEHJQSDWFLA-UHFFFAOYSA-N
XLogP0.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 55238418
3-(3-aminoprop-1-ynyl)-N-ethyl-N-(1-methoxypropan-2-yl)thiophene-2-carboxamide
CID 63800749
3-(3-aminoprop-1-ynyl)-N-butan-2-yl-N-methylthiophene-2-carboxamide
CID 63801444
3-(3-aminoprop-1-ynyl)-N,N-dipropylthiophene-2-carboxamide
CID 63801431
3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 63799701
methyl 2-[[3-(4-hydroxybut-1-ynyl)thiophene-2-carbonyl]-propan-2-ylamino]acetate
CID 63798418
3-(3-aminoprop-1-ynyl)-N-(2-methylsulfinylpropyl)thiophene-2-carboxamide
CID 113484459
5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 55152497
3-(3-aminoprop-1-ynyl)-N-(4-methylpentan-2-yl)thiophene-2-carboxamide
CID 63801608
3-(3-aminoprop-1-ynyl)-N-(1-methylsulfonylpropan-2-yl)thiophene-2-carboxamide
CID 64641904
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 63800576
3-(3-aminoprop-1-ynyl)-N-(2,2-difluoroethyl)thiophene-2-carboxamide
CID 115408372

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide (CID 63801275) is 3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(CCO)C(=O)c1sccc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is SXIXEHJQSDWFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-10(2)15(7-8-16)13(17)12-11(4-3-6-14)5-9-18-12/h5,9-10,16H,6-8,14H2,1-2H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 63801275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).