2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole

C11H8ClN5S — CID 62922172

IUPAC2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole
SMILESClCc1nc(-c2cccc(-n3cnnn3)c2)cs1
InChIInChI=1S/C11H8ClN5S/c12-5-11-14-10(6-18-11)8-2-1-3-9(4-8)17-7-13-15-16-17/h1-4,6-7H,5H2
InChIKeyCSBMKILMKNJORL-UHFFFAOYSA-N
MW277.74 g/mol
LogP2.52
Rot. Bonds3

About 2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole

2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole (PubChem CID 62922172) has the molecular formula C11H8ClN5S and a molecular weight of 277.74 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole
PubChem CID62922172
Molecular FormulaC11H8ClN5S
Molecular Weight277.74 g/mol
Exact Mass277.02
IUPAC Name2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole
SMILESClCc1nc(-c2cccc(-n3cnnn3)c2)cs1
InChIInChI=1S/C11H8ClN5S/c12-5-11-14-10(6-18-11)8-2-1-3-9(4-8)17-7-13-15-16-17/h1-4,6-7H,5H2
InChIKeyCSBMKILMKNJORL-UHFFFAOYSA-N
XLogP2.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde
CID 62927731
N-tert-butyl-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 62942366
ethyl 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carboxylate
CID 61385361
4-chloro-2,5-dimethyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 47082768
2-methyl-N-[4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]thiane-4-carboxamide
CID 167837597
2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole
CID 14152289
3-(tetrazol-1-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43683952
N-methyl-1-[5-[3-(tetrazol-1-yl)phenyl]-1,2-oxazol-4-yl]methanamine
CID 65239815
N-pyridin-2-yl-4-[3-(tetrazol-1-yl)phenyl]pyridin-2-amine
CID 166383373
[3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 90601690
2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 1140135
3-(3-phenylphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 118760169

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole?
The IUPAC name of 2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole (CID 62922172) is 2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole is ClCc1nc(-c2cccc(-n3cnnn3)c2)cs1.
What is the InChIKey of 2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole?
The InChIKey is CSBMKILMKNJORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5S/c12-5-11-14-10(6-18-11)8-2-1-3-9(4-8)17-7-13-15-16-17/h1-4,6-7H,5H2.
What are the key properties of 2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole?
2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole has a molecular weight of 277.74 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 62922172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).