5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide

C11H13N3OS2 — CID 79613625

IUPAC5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCCc2cscn2)c1
InChIInChI=1S/C11H13N3OS2/c12-11(15)8-3-10(17-5-8)4-13-2-1-9-6-16-7-14-9/h3,5-7,13H,1-2,4H2,(H2,12,15)
InChIKeyIAOIRBWVLUIXID-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.64
Rot. Bonds6

About 5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide

5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide (PubChem CID 79613625) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide
PubChem CID79613625
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(CNCCc2cscn2)c1
InChIInChI=1S/C11H13N3OS2/c12-11(15)8-3-10(17-5-8)4-13-2-1-9-6-16-7-14-9/h3,5-7,13H,1-2,4H2,(H2,12,15)
InChIKeyIAOIRBWVLUIXID-UHFFFAOYSA-N
XLogP1.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(1H-imidazol-5-yl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614136
5-[(3,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 115735473
5-[(2-methylsulfinylethylamino)methyl]thiophene-3-carboxamide
CID 115735679
5-[(pyridin-2-ylmethylamino)methyl]thiophene-3-carboxamide
CID 79606263
2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 63829370
5-[[2-(2-methylpropanoylamino)ethylamino]methyl]thiophene-3-carboxamide
CID 79606126
5-[(2-imidazol-1-ylethylamino)methyl]thiophene-3-carboxamide
CID 79613529
5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide
CID 115735466
6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
CID 79794984
5-[(2,3-dihydroxypropylamino)methyl]thiophene-3-carboxamide
CID 79614139
5-[(2,3-dimethylbutylamino)methyl]thiophene-3-carboxamide
CID 79613545
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 102835791

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide (CID 79613625) is 5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide is NC(=O)c1csc(CNCCc2cscn2)c1.
What is the InChIKey of 5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide?
The InChIKey is IAOIRBWVLUIXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c12-11(15)8-3-10(17-5-8)4-13-2-1-9-6-16-7-14-9/h3,5-7,13H,1-2,4H2,(H2,12,15).
What are the key properties of 5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide?
5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).