5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide

C10H10IN3OS — CID 78950124

IUPAC5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
SMILESCn1ccnc1CNC(=O)c1csc(I)c1
InChIInChI=1S/C10H10IN3OS/c1-14-3-2-12-9(14)5-13-10(15)7-4-8(11)16-6-7/h2-4,6H,5H2,1H3,(H,13,15)
InChIKeyQVKPJVVVKFZHRV-UHFFFAOYSA-N
MW347.18 g/mol
LogP2.02
Rot. Bonds3

About 5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide

5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide (PubChem CID 78950124) has the molecular formula C10H10IN3OS and a molecular weight of 347.18 g/mol. Its IUPAC name is 5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
PubChem CID78950124
Molecular FormulaC10H10IN3OS
Molecular Weight347.18 g/mol
Exact Mass346.96
IUPAC Name5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
SMILESCn1ccnc1CNC(=O)c1csc(I)c1
InChIInChI=1S/C10H10IN3OS/c1-14-3-2-12-9(14)5-13-10(15)7-4-8(11)16-6-7/h2-4,6H,5H2,1H3,(H,13,15)
InChIKeyQVKPJVVVKFZHRV-UHFFFAOYSA-N
XLogP2.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide
CID 110467928
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide
CID 61211107
2-amino-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63293629
3-cyano-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168275
4-(bromomethyl)-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 102851668
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
4-amino-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63295986
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide
CID 110440656
3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113329947
5-iodo-N-(1,3-thiazol-5-ylmethyl)thiophene-3-carboxamide
CID 104579050
5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
CID 106832300
2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390133

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide (CID 78950124) is 5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide is Cn1ccnc1CNC(=O)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide?
The InChIKey is QVKPJVVVKFZHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3OS/c1-14-3-2-12-9(14)5-13-10(15)7-4-8(11)16-6-7/h2-4,6H,5H2,1H3,(H,13,15).
What are the key properties of 5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide?
5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide has a molecular weight of 347.18 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 78950124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).