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

C14H18N4S2 — CID 58112028

IUPAC4-[2-[5-(3-azidopropyl)-4-methylthiophen-2-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCc2cc(C)c(CCCN=[N+]=[N-])s2)cs1
InChIInChI=1S/C14H18N4S2/c1-10-8-13(6-5-12-9-19-11(2)17-12)20-14(10)4-3-7-16-18-15/h8-9H,3-7H2,1-2H3
InChIKeyKIMGRLNWEAZJOD-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.85
Rot. Bonds7

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

4-[2-[5-(3-azidopropyl)-4-methylthiophen-2-yl]ethyl]-2-methyl-1,3-thiazole (PubChem CID 58112028) has the molecular formula C14H18N4S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 4-[2-[5-(3-azidopropyl)-4-methylthiophen-2-yl]ethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[5-(3-azidopropyl)-4-methylthiophen-2-yl]ethyl]-2-methyl-1,3-thiazole
PubChem CID58112028
Molecular FormulaC14H18N4S2
Molecular Weight306.46 g/mol
Exact Mass306.10
IUPAC Name4-[2-[5-(3-azidopropyl)-4-methylthiophen-2-yl]ethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CCc2cc(C)c(CCCN=[N+]=[N-])s2)cs1
InChIInChI=1S/C14H18N4S2/c1-10-8-13(6-5-12-9-19-11(2)17-12)20-14(10)4-3-7-16-18-15/h8-9H,3-7H2,1-2H3
InChIKeyKIMGRLNWEAZJOD-UHFFFAOYSA-N
XLogP4.85
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.85
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)-4-methylthiophen-2-yl]ethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[5-(3-azidopropyl)-4-methylthiophen-2-yl]ethyl]-2-methyl-1,3-thiazole (CID 58112028) is 4-[2-[5-(3-azidopropyl)-4-methylthiophen-2-yl]ethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[5-(3-azidopropyl)-4-methylthiophen-2-yl]ethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[5-(3-azidopropyl)-4-methylthiophen-2-yl]ethyl]-2-methyl-1,3-thiazole is Cc1nc(CCc2cc(C)c(CCCN=[N+]=[N-])s2)cs1.
What is the InChIKey of 4-[2-[5-(3-azidopropyl)-4-methylthiophen-2-yl]ethyl]-2-methyl-1,3-thiazole?
The InChIKey is KIMGRLNWEAZJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S2/c1-10-8-13(6-5-12-9-19-11(2)17-12)20-14(10)4-3-7-16-18-15/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-[2-[5-(3-azidopropyl)-4-methylthiophen-2-yl]ethyl]-2-methyl-1,3-thiazole?
4-[2-[5-(3-azidopropyl)-4-methylthiophen-2-yl]ethyl]-2-methyl-1,3-thiazole has a molecular weight of 306.46 g/mol, XLogP of 4.85, 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)-4-methylthiophen-2-yl]ethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 58112028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).