5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol

C12H10FN5OS — CID 171358627

IUPAC5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol
SMILESCCn1nnnc1-c1sc(-c2cccc(F)c2)nc1O
InChIInChI=1S/C12H10FN5OS/c1-2-18-10(15-16-17-18)9-11(19)14-12(20-9)7-4-3-5-8(13)6-7/h3-6,19H,2H2,1H3
InChIKeyDOPCYQFKFWRLQZ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.33
Rot. Bonds3

About 5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol

5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol (PubChem CID 171358627) has the molecular formula C12H10FN5OS and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol
PubChem CID171358627
Molecular FormulaC12H10FN5OS
Molecular Weight291.31 g/mol
Exact Mass291.06
IUPAC Name5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol
SMILESCCn1nnnc1-c1sc(-c2cccc(F)c2)nc1O
InChIInChI=1S/C12H10FN5OS/c1-2-18-10(15-16-17-18)9-11(19)14-12(20-9)7-4-3-5-8(13)6-7/h3-6,19H,2H2,1H3
InChIKeyDOPCYQFKFWRLQZ-UHFFFAOYSA-N
XLogP2.33
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886109
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881
5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-(3-fluorophenyl)-1,3-thiazol-4-ol
CID 136993028
2-ethyl-2-[5-(3-fluorophenyl)tetrazol-1-yl]butanoic acid
CID 79809118
3-[5-(3-fluorophenyl)tetrazol-1-yl]-2,2-dimethylpropanoic acid
CID 113308371
ethyl 2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 133062647
2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-amine
CID 116884603
5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]-2-methylaniline
CID 61376820
1-ethyl-3-(3-fluorophenyl)pyrazol-5-amine
CID 61265903
ethyl 2-bromo-4-(3-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 131867352
2-(3-fluoro-4-methylphenyl)-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 158199736
6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45492735

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol?
The IUPAC name of 5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol (CID 171358627) is 5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol?
The canonical SMILES for 5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol is CCn1nnnc1-c1sc(-c2cccc(F)c2)nc1O.
What is the InChIKey of 5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol?
The InChIKey is DOPCYQFKFWRLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5OS/c1-2-18-10(15-16-17-18)9-11(19)14-12(20-9)7-4-3-5-8(13)6-7/h3-6,19H,2H2,1H3.
What are the key properties of 5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol?
5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol has a molecular weight of 291.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyltetrazol-5-yl)-2-(3-fluorophenyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 171358627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).