5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole

C10H13ClN4S — CID 103084567

IUPAC5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole
SMILESCc1cc(Cn2nnnc2C(C)Cl)sc1C
InChIInChI=1S/C10H13ClN4S/c1-6-4-9(16-8(6)3)5-15-10(7(2)11)12-13-14-15/h4,7H,5H2,1-3H3
InChIKeyWECXGEFKIKVOID-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.70
Rot. Bonds3

About 5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole

5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole (PubChem CID 103084567) has the molecular formula C10H13ClN4S and a molecular weight of 256.76 g/mol. Its IUPAC name is 5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole
PubChem CID103084567
Molecular FormulaC10H13ClN4S
Molecular Weight256.76 g/mol
Exact Mass256.05
IUPAC Name5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole
SMILESCc1cc(Cn2nnnc2C(C)Cl)sc1C
InChIInChI=1S/C10H13ClN4S/c1-6-4-9(16-8(6)3)5-15-10(7(2)11)12-13-14-15/h4,7H,5H2,1-3H3
InChIKeyWECXGEFKIKVOID-UHFFFAOYSA-N
XLogP2.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.70
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

7-chloro-2-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]benzimidazole
CID 65245354
2-(1-chloroethyl)-3-[(4,5-dimethylthiophen-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294618
5-(1-chloroethyl)-1-[(3-ethylthiophen-2-yl)methyl]tetrazole
CID 103084604
1-[2-(5-bromothiophen-2-yl)ethyl]-5-(1-chloroethyl)tetrazole
CID 106042444
2-methyl-N-[1-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine
CID 103085581
5-(1-chloroethyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 103084369
5-(1-chloroethyl)-1-hexyltetrazole
CID 103084541
3-chloro-4-[(4,5-dimethylthiophen-2-yl)methyl]-5-phenyl-1,2,4-triazole
CID 65245423
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
1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole
CID 103084495

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole?
The IUPAC name of 5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole (CID 103084567) is 5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole.
What is the SMILES notation for 5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole?
The canonical SMILES for 5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole is Cc1cc(Cn2nnnc2C(C)Cl)sc1C.
What is the InChIKey of 5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole?
The InChIKey is WECXGEFKIKVOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4S/c1-6-4-9(16-8(6)3)5-15-10(7(2)11)12-13-14-15/h4,7H,5H2,1-3H3.
What are the key properties of 5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole?
5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole has a molecular weight of 256.76 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-1-[(4,5-dimethylthiophen-2-yl)methyl]tetrazole is sourced from PubChem (CID 103084567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).