2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide

C17H11BrN4S2 — CID 16756828

IUPAC2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide
SMILESBr.c1ccc(-c2csc(-n3nc4c5ccccc5nc-4s3)n2)cc1
InChIInChI=1S/C17H10N4S2.BrH/c1-2-6-11(7-3-1)14-10-22-17(19-14)21-20-15-12-8-4-5-9-13(12)18-16(15)23-21;/h1-10H;1H
InChIKeyDOSMEOVELZNSGI-UHFFFAOYSA-N
MW415.34 g/mol
LogP5.29
Rot. Bonds2

About 2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide

2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide (PubChem CID 16756828) has the molecular formula C17H11BrN4S2 and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide.

Molecular Properties

Compound Name2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide
PubChem CID16756828
Molecular FormulaC17H11BrN4S2
Molecular Weight415.34 g/mol
Exact Mass413.96
IUPAC Name2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide
SMILESBr.c1ccc(-c2csc(-n3nc4c5ccccc5nc-4s3)n2)cc1
InChIInChI=1S/C17H10N4S2.BrH/c1-2-6-11(7-3-1)14-10-22-17(19-14)21-20-15-12-8-4-5-9-13(12)18-16(15)23-21;/h1-10H;1H
InChIKeyDOSMEOVELZNSGI-UHFFFAOYSA-N
XLogP5.29
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.34
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
2-(2-methylquinolin-4-yl)-4-phenyl-1,3-thiazole
CID 103597581
2-[4-bromo-3,5-bis(2-methoxyphenyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole
CID 19586860
4-phenyl-1-[4-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]azetidin-2-one
CID 10318180
tricopper;tetrakis(2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1,3-thiazole);hexanitrate
CID 139176827
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
2-[3-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-1,3-thiazole
CID 2717922
9-methyl-14-(4-phenyl-1,3-thiazol-2-yl)-13-sulfanylidene-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-15-one
CID 10671581
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-phenylpyrazole-4-carbaldehyde
CID 71732594
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 82167588

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide?
The IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide (CID 16756828) is 2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide.
What is the SMILES notation for 2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide?
The canonical SMILES for 2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide is Br.c1ccc(-c2csc(-n3nc4c5ccccc5nc-4s3)n2)cc1.
What is the InChIKey of 2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide?
The InChIKey is DOSMEOVELZNSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4S2.BrH/c1-2-6-11(7-3-1)14-10-22-17(19-14)21-20-15-12-8-4-5-9-13(12)18-16(15)23-21;/h1-10H;1H.
What are the key properties of 2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide?
2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide has a molecular weight of 415.34 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1,3-thiazol-2-yl)thiadiazolo[5,4-b]indole;hydrobromide is sourced from PubChem (CID 16756828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).