5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole

C10H13ClN4S — CID 103084604

IUPAC5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole
SMILESCCc1ccsc1Cn1nnnc1C(C)Cl
InChIInChI=1S/C10H13ClN4S/c1-3-8-4-5-16-9(8)6-15-10(7(2)11)12-13-14-15/h4-5,7H,3,6H2,1-2H3
InChIKeyYXSKQXQBNLTMLU-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.65
Rot. Bonds4

About 5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole

5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole (PubChem CID 103084604) has the molecular formula C10H13ClN4S and a molecular weight of 256.76 g/mol. Its IUPAC name is 5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole
PubChem CID103084604
Molecular FormulaC10H13ClN4S
Molecular Weight256.76 g/mol
Exact Mass256.05
IUPAC Name5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole
SMILESCCc1ccsc1Cn1nnnc1C(C)Cl
InChIInChI=1S/C10H13ClN4S/c1-3-8-4-5-16-9(8)6-15-10(7(2)11)12-13-14-15/h4-5,7H,3,6H2,1-2H3
InChIKeyYXSKQXQBNLTMLU-UHFFFAOYSA-N
XLogP2.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(3-bromothiophen-2-yl)methyl]tetrazol-5-yl]ethanamine
CID 103086610
5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole
CID 103084567
3-[(3-ethylthiophen-2-yl)methyl]benzotriazole-4-carboxylic acid
CID 115932040
5-(1-chloroethyl)-1-hexyltetrazole
CID 103084541
1-[2-(5-bromothiophen-2-yl)ethyl]-5-(1-chloroethyl)tetrazole
CID 106042444
5-(1-chloroethyl)-1-(thiolan-3-ylmethyl)tetrazole
CID 107297320
5-(1-chloroethyl)-1-(3-ethoxypropyl)tetrazole
CID 103084402
5-(1-chloroethyl)-1-(1,4-dithian-2-ylmethyl)tetrazole
CID 103084677
2-(1-benzyltetrazol-5-yl)propanoic acid
CID 84695493
1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole
CID 103084495
5-(1-chloroethyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)tetrazole
CID 103084505
N-ethyl-1-[1-(thiophen-3-ylmethyl)tetrazol-5-yl]ethanamine
CID 103086139

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole?
The IUPAC name of 5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole (CID 103084604) is 5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole.
What is the SMILES notation for 5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole?
The canonical SMILES for 5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole is CCc1ccsc1Cn1nnnc1C(C)Cl.
What is the InChIKey of 5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole?
The InChIKey is YXSKQXQBNLTMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4S/c1-3-8-4-5-16-9(8)6-15-10(7(2)11)12-13-14-15/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole?
5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole has a molecular weight of 256.76 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole is sourced from PubChem (CID 103084604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).