N-(4-azidobutyl)-3-methylthiophene-2-carboxamide

C10H14N4OS — CID 106386478

IUPACN-(4-azidobutyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C10H14N4OS/c1-8-4-7-16-9(8)10(15)12-5-2-3-6-13-14-11/h4,7H,2-3,5-6H2,1H3,(H,12,15)
InChIKeyWKTOIQLOGHKQPC-UHFFFAOYSA-N
MW238.32 g/mol
LogP2.88
Rot. Bonds6

About N-(4-azidobutyl)-3-methylthiophene-2-carboxamide

N-(4-azidobutyl)-3-methylthiophene-2-carboxamide (PubChem CID 106386478) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is N-(4-azidobutyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-azidobutyl)-3-methylthiophene-2-carboxamide
PubChem CID106386478
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC NameN-(4-azidobutyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCCCN=[N+]=[N-]
InChIInChI=1S/C10H14N4OS/c1-8-4-7-16-9(8)10(15)12-5-2-3-6-13-14-11/h4,7H,2-3,5-6H2,1H3,(H,12,15)
InChIKeyWKTOIQLOGHKQPC-UHFFFAOYSA-N
XLogP2.88
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-azidobutyl)-3-methylthiophene-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

N-(5-iodopentyl)-3-methylthiophene-2-carboxamide
CID 107322386
N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 43601705
N-(4-azidobutyl)-2,6-difluoro-3-methylbenzamide
CID 106386362
N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119505169
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-(4-azidobutyl)-2-bromo-4-methylbenzamide
CID 106386313
N-(4-azidobutyl)-2-chloro-4-methylbenzamide
CID 106386858
N-(4-azidobutyl)-2-methylpyridine-3-carboxamide
CID 106386346
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
N-(4-azidobutyl)-3-fluoro-5-methylbenzamide
CID 106386517
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529

Frequently Asked Questions

What is the IUPAC name of N-(4-azidobutyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(4-azidobutyl)-3-methylthiophene-2-carboxamide (CID 106386478) is N-(4-azidobutyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-azidobutyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(4-azidobutyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCCCCN=[N+]=[N-].
What is the InChIKey of N-(4-azidobutyl)-3-methylthiophene-2-carboxamide?
The InChIKey is WKTOIQLOGHKQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-8-4-7-16-9(8)10(15)12-5-2-3-6-13-14-11/h4,7H,2-3,5-6H2,1H3,(H,12,15).
What are the key properties of N-(4-azidobutyl)-3-methylthiophene-2-carboxamide?
N-(4-azidobutyl)-3-methylthiophene-2-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidobutyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 106386478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).