N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine

C14H15Br2N3S2 — CID 107968859

IUPACN-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cn2ccsc2n1)c1cc(Br)sc1Br
InChIInChI=1S/C14H15Br2N3S2/c1-2-3-17-11(10-7-12(15)21-13(10)16)6-9-8-19-4-5-20-14(19)18-9/h4-5,7-8,11,17H,2-3,6H2,1H3
InChIKeyRHPHQHZQUVKRIC-UHFFFAOYSA-N
MW449.24 g/mol
LogP5.27
Rot. Bonds6

About N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine

N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine (PubChem CID 107968859) has the molecular formula C14H15Br2N3S2 and a molecular weight of 449.24 g/mol. Its IUPAC name is N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
PubChem CID107968859
Molecular FormulaC14H15Br2N3S2
Molecular Weight449.24 g/mol
Exact Mass446.91
IUPAC NameN-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cn2ccsc2n1)c1cc(Br)sc1Br
InChIInChI=1S/C14H15Br2N3S2/c1-2-3-17-11(10-7-12(15)21-13(10)16)6-9-8-19-4-5-20-14(19)18-9/h4-5,7-8,11,17H,2-3,6H2,1H3
InChIKeyRHPHQHZQUVKRIC-UHFFFAOYSA-N
XLogP5.27
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.24
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 107969828
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104790414
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105174053
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105174226
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115333944
N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
CID 115333433
1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023646
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyridin-3-ylethyl)propan-1-amine
CID 115333445
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023390
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine
CID 115332398
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 115333706

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine (CID 107968859) is N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine is CCCNC(Cc1cn2ccsc2n1)c1cc(Br)sc1Br.
What is the InChIKey of N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine?
The InChIKey is RHPHQHZQUVKRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3S2/c1-2-3-17-11(10-7-12(15)21-13(10)16)6-9-8-19-4-5-20-14(19)18-9/h4-5,7-8,11,17H,2-3,6H2,1H3.
What are the key properties of N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine?
N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine has a molecular weight of 449.24 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine is sourced from PubChem (CID 107968859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).