5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide

C13H18N4OS — CID 134162985

IUPAC5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide
SMILES[N-]=[N+]=NCc1ccc(C(=O)NC2CCCCCC2)s1
InChIInChI=1S/C13H18N4OS/c14-17-15-9-11-7-8-12(19-11)13(18)16-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,16,18)
InChIKeyZBDAGQLRXVQKFJ-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.01
Rot. Bonds4

About 5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide

5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide (PubChem CID 134162985) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide
PubChem CID134162985
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide
SMILES[N-]=[N+]=NCc1ccc(C(=O)NC2CCCCCC2)s1
InChIInChI=1S/C13H18N4OS/c14-17-15-9-11-7-8-12(19-11)13(18)16-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,16,18)
InChIKeyZBDAGQLRXVQKFJ-UHFFFAOYSA-N
XLogP4.01
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(azidomethyl)-N-(oxan-4-yl)thiophene-2-carboxamide
CID 134163076
[5-(azidomethyl)thiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134162933
5-(azidomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 134163038
5-(azidomethyl)-N-[2-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 134163067
5-(azidomethyl)-N-[(4-chlorophenyl)methyl]thiophene-2-carboxamide
CID 134163020
5-(azidomethyl)-N-(4-hydroxycyclohexyl)furan-2-carboxamide
CID 134162799
[5-(azidomethyl)thiophen-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 134162992
1-(2-azidoethyl)-3-cyclohexylurea
CID 61342514
[5-(azidomethyl)thiophen-2-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 134162964
5-acetyl-N-cyclopropylthiophene-2-carboxamide
CID 9080124
N-[4-[(3-cyclobutyl-2-methylpropanoyl)amino]cyclohexyl]-5-(cyclopropylmethyl)thiophene-2-carboxamide
CID 167786716
3-[5-(azidomethyl)thiophen-2-yl]propanoic acid
CID 167729397

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide?
The IUPAC name of 5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide (CID 134162985) is 5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide.
What is the SMILES notation for 5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide?
The canonical SMILES for 5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide is [N-]=[N+]=NCc1ccc(C(=O)NC2CCCCCC2)s1.
What is the InChIKey of 5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide?
The InChIKey is ZBDAGQLRXVQKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c14-17-15-9-11-7-8-12(19-11)13(18)16-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,16,18).
What are the key properties of 5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide?
5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-N-cycloheptylthiophene-2-carboxamide is sourced from PubChem (CID 134162985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).