1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine

C14H13BrClN3S — CID 107946541

IUPAC1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
SMILESCNC(Cc1cn2ccsc2n1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H13BrClN3S/c1-17-13(9-4-10(15)6-11(16)5-9)7-12-8-19-2-3-20-14(19)18-12/h2-6,8,13,17H,7H2,1H3
InChIKeyVCBATOCIBANLRO-UHFFFAOYSA-N
MW370.70 g/mol
LogP4.31
Rot. Bonds4

About 1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine

1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine (PubChem CID 107946541) has the molecular formula C14H13BrClN3S and a molecular weight of 370.70 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
PubChem CID107946541
Molecular FormulaC14H13BrClN3S
Molecular Weight370.70 g/mol
Exact Mass368.97
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
SMILESCNC(Cc1cn2ccsc2n1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H13BrClN3S/c1-17-13(9-4-10(15)6-11(16)5-9)7-12-8-19-2-3-20-14(19)18-12/h2-6,8,13,17H,7H2,1H3
InChIKeyVCBATOCIBANLRO-UHFFFAOYSA-N
XLogP4.31
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 107946543
[1-(3,5-dibromophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 107979339
1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105023768
1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333502
1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333568
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105023446
N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
CID 115333433
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023390
[1-(3,5-dimethylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 105328770
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 113289240
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
CID 115333927
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 82789604

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine (CID 107946541) is 1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine is CNC(Cc1cn2ccsc2n1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
The InChIKey is VCBATOCIBANLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3S/c1-17-13(9-4-10(15)6-11(16)5-9)7-12-8-19-2-3-20-14(19)18-12/h2-6,8,13,17H,7H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine has a molecular weight of 370.70 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine is sourced from PubChem (CID 107946541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).