6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C12H10ClN3O2S2 — CID 61442236

IUPAC6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCN(Cc1ccc(Cl)s1)c1nc2sccn2c1C(=O)O
InChIInChI=1S/C12H10ClN3O2S2/c1-15(6-7-2-3-8(13)20-7)10-9(11(17)18)16-4-5-19-12(16)14-10/h2-5H,6H2,1H3,(H,17,18)
InChIKeySFMDVRSHALXACN-UHFFFAOYSA-N
MW327.82 g/mol
LogP3.45
Rot. Bonds4

About 6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 61442236) has the molecular formula C12H10ClN3O2S2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID61442236
Molecular FormulaC12H10ClN3O2S2
Molecular Weight327.82 g/mol
Exact Mass326.99
IUPAC Name6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCN(Cc1ccc(Cl)s1)c1nc2sccn2c1C(=O)O
InChIInChI=1S/C12H10ClN3O2S2/c1-15(6-7-2-3-8(13)20-7)10-9(11(17)18)16-4-5-19-12(16)14-10/h2-5H,6H2,1H3,(H,17,18)
InChIKeySFMDVRSHALXACN-UHFFFAOYSA-N
XLogP3.45
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 61442236) is 6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CN(Cc1ccc(Cl)s1)c1nc2sccn2c1C(=O)O.
What is the InChIKey of 6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is SFMDVRSHALXACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2S2/c1-15(6-7-2-3-8(13)20-7)10-9(11(17)18)16-4-5-19-12(16)14-10/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 327.82 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chlorothiophen-2-yl)methyl-methylamino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 61442236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).