N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide

C13H10Cl2N2OS2 — CID 107964048

IUPACN-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide
SMILESNCC#Cc1ccsc1CNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H10Cl2N2OS2/c14-11-6-9(12(15)20-11)13(18)17-7-10-8(2-1-4-16)3-5-19-10/h3,5-6H,4,7,16H2,(H,17,18)
InChIKeyJGVHEPMGJQQCSS-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.36
Rot. Bonds3

About N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide

N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide (PubChem CID 107964048) has the molecular formula C13H10Cl2N2OS2 and a molecular weight of 345.28 g/mol. Its IUPAC name is N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide
PubChem CID107964048
Molecular FormulaC13H10Cl2N2OS2
Molecular Weight345.28 g/mol
Exact Mass343.96
IUPAC NameN-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide
SMILESNCC#Cc1ccsc1CNC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H10Cl2N2OS2/c14-11-6-9(12(15)20-11)13(18)17-7-10-8(2-1-4-16)3-5-19-10/h3,5-6H,4,7,16H2,(H,17,18)
InChIKeyJGVHEPMGJQQCSS-UHFFFAOYSA-N
XLogP3.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3,4-dihydroxybenzamide
CID 107728882
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-methoxypyridine-4-carboxamide
CID 105064279
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyridazine-4-carboxamide
CID 104671884
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-propylpentanamide
CID 82988192
4-(3-aminoprop-1-ynyl)-N-[(3-bromothiophen-2-yl)methyl]-3-chlorobenzamide
CID 81293972
2-chloro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-methylbenzamide
CID 106862551
3-(2-chlorothiophen-3-yl)prop-2-yn-1-amine
CID 130604994
2,5-dichloro-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thiophene-3-carboxamide
CID 107963931
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209984
N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80738759
2,5-dichloro-N-[(2-chlorophenyl)methyl]thiophene-3-carboxamide
CID 17422374
3-(3-aminoprop-1-ynyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 63798987

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide (CID 107964048) is N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide is NCC#Cc1ccsc1CNC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is JGVHEPMGJQQCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS2/c14-11-6-9(12(15)20-11)13(18)17-7-10-8(2-1-4-16)3-5-19-10/h3,5-6H,4,7,16H2,(H,17,18).
What are the key properties of N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide?
N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 345.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 107964048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).