1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine

C12H12ClF2N5S — CID 25404823

IUPAC1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1nccn1C(F)F)Cc1c(Cl)nc2sccn12
InChIInChI=1S/C12H12ClF2N5S/c1-18(7-9-16-2-3-20(9)11(14)15)6-8-10(13)17-12-19(8)4-5-21-12/h2-5,11H,6-7H2,1H3
InChIKeySRWZPAQLSRYPEK-UHFFFAOYSA-N
MW331.78 g/mol
LogP3.27
Rot. Bonds5

About 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine

1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine (PubChem CID 25404823) has the molecular formula C12H12ClF2N5S and a molecular weight of 331.78 g/mol. Its IUPAC name is 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine
PubChem CID25404823
Molecular FormulaC12H12ClF2N5S
Molecular Weight331.78 g/mol
Exact Mass331.05
IUPAC Name1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1nccn1C(F)F)Cc1c(Cl)nc2sccn12
InChIInChI=1S/C12H12ClF2N5S/c1-18(7-9-16-2-3-20(9)11(14)15)6-8-10(13)17-12-19(8)4-5-21-12/h2-5,11H,6-7H2,1H3
InChIKeySRWZPAQLSRYPEK-UHFFFAOYSA-N
XLogP3.27
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine (CID 25404823) is 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine is CN(Cc1nccn1C(F)F)Cc1c(Cl)nc2sccn12.
What is the InChIKey of 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine?
The InChIKey is SRWZPAQLSRYPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2N5S/c1-18(7-9-16-2-3-20(9)11(14)15)6-8-10(13)17-12-19(8)4-5-21-12/h2-5,11H,6-7H2,1H3.
What are the key properties of 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine?
1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine has a molecular weight of 331.78 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 25404823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).