1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine

C17H20ClN3S — CID 83496419

IUPAC1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1cn2c(-c3ccc(Cl)cc3)csc2n1
InChIInChI=1S/C17H20ClN3S/c1-3-8-19-12(2)9-15-10-21-16(11-22-17(21)20-15)13-4-6-14(18)7-5-13/h4-7,10-12,19H,3,8-9H2,1-2H3
InChIKeyACEPJGVYVHYAEJ-UHFFFAOYSA-N
MW333.89 g/mol
LogP4.65
Rot. Bonds6

About 1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine

1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine (PubChem CID 83496419) has the molecular formula C17H20ClN3S and a molecular weight of 333.89 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine
PubChem CID83496419
Molecular FormulaC17H20ClN3S
Molecular Weight333.89 g/mol
Exact Mass333.11
IUPAC Name1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1cn2c(-c3ccc(Cl)cc3)csc2n1
InChIInChI=1S/C17H20ClN3S/c1-3-8-19-12(2)9-15-10-21-16(11-22-17(21)20-15)13-4-6-14(18)7-5-13/h4-7,10-12,19H,3,8-9H2,1-2H3
InChIKeyACEPJGVYVHYAEJ-UHFFFAOYSA-N
XLogP4.65
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine?
The IUPAC name of 1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine (CID 83496419) is 1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine?
The canonical SMILES for 1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine is CCCNC(C)Cc1cn2c(-c3ccc(Cl)cc3)csc2n1.
What is the InChIKey of 1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine?
The InChIKey is ACEPJGVYVHYAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3S/c1-3-8-19-12(2)9-15-10-21-16(11-22-17(21)20-15)13-4-6-14(18)7-5-13/h4-7,10-12,19H,3,8-9H2,1-2H3.
What are the key properties of 1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine?
1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine has a molecular weight of 333.89 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]-N-propylpropan-2-amine is sourced from PubChem (CID 83496419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).