4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole

C13H16N4S2 — CID 58112157

IUPAC4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCc2csc(CCCN=[N+]=[N-])c2)cs1
InChIInChI=1S/C13H16N4S2/c1-10-16-12(9-18-10)5-4-11-7-13(19-8-11)3-2-6-15-17-14/h7-9H,2-6H2,1H3
InChIKeyCHSARUNGGAWTIE-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.54
Rot. Bonds7

About 4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole

4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole (PubChem CID 58112157) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole
PubChem CID58112157
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Name4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCc2csc(CCCN=[N+]=[N-])c2)cs1
InChIInChI=1S/C13H16N4S2/c1-10-16-12(9-18-10)5-4-11-7-13(19-8-11)3-2-6-15-17-14/h7-9H,2-6H2,1H3
InChIKeyCHSARUNGGAWTIE-UHFFFAOYSA-N
XLogP4.54
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole (CID 58112157) is 4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole is Cc1nc(CCc2csc(CCCN=[N+]=[N-])c2)cs1.
What is the InChIKey of 4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole?
The InChIKey is CHSARUNGGAWTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c1-10-16-12(9-18-10)5-4-11-7-13(19-8-11)3-2-6-15-17-14/h7-9H,2-6H2,1H3.
What are the key properties of 4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole?
4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole has a molecular weight of 292.43 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(3-azidopropyl)thiophen-3-yl]ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 58112157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).