4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride

C11H13Cl2NS — CID 118514483

IUPAC4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
SMILESCCc1csc(-c2ccccc2)n1.Cl.Cl
InChIInChI=1S/C11H11NS.2ClH/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9;;/h3-8H,2H2,1H3;2*1H
InChIKeyADWCRDVMDHQUKF-UHFFFAOYSA-N
MW262.20 g/mol
LogP4.22
Rot. Bonds2

About 4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride

4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride (PubChem CID 118514483) has the molecular formula C11H13Cl2NS and a molecular weight of 262.20 g/mol. Its IUPAC name is 4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride.

Molecular Properties

Compound Name4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
PubChem CID118514483
Molecular FormulaC11H13Cl2NS
Molecular Weight262.20 g/mol
Exact Mass261.01
IUPAC Name4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
SMILESCCc1csc(-c2ccccc2)n1.Cl.Cl
InChIInChI=1S/C11H11NS.2ClH/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9;;/h3-8H,2H2,1H3;2*1H
InChIKeyADWCRDVMDHQUKF-UHFFFAOYSA-N
XLogP4.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888515
2-ethyl-5-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30411659
5-ethyl-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 72900565
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-(4-ethylphenyl)-4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazole
CID 8684946
1,1-diethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111038270
3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133331317

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride?
The IUPAC name of 4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride (CID 118514483) is 4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride.
What is the SMILES notation for 4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride?
The canonical SMILES for 4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride is CCc1csc(-c2ccccc2)n1.Cl.Cl.
What is the InChIKey of 4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride?
The InChIKey is ADWCRDVMDHQUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.2ClH/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9;;/h3-8H,2H2,1H3;2*1H.
What are the key properties of 4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride?
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride has a molecular weight of 262.20 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride is sourced from PubChem (CID 118514483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).