6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C17H13ClN4O3S2 — CID 16605016

IUPAC6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3c(Cl)nc4sccn34)n2)c(OC)c1
InChIInChI=1S/C17H13ClN4O3S2/c1-24-9-3-4-10(12(7-9)25-2)11-8-27-16(19-11)21-15(23)13-14(18)20-17-22(13)5-6-26-17/h3-8H,1-2H3,(H,19,21,23)
InChIKeyMQZWCZBVENTZGV-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.44
Rot. Bonds5

About 6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 16605016) has the molecular formula C17H13ClN4O3S2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID16605016
Molecular FormulaC17H13ClN4O3S2
Molecular Weight420.90 g/mol
Exact Mass420.01
IUPAC Name6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3c(Cl)nc4sccn34)n2)c(OC)c1
InChIInChI=1S/C17H13ClN4O3S2/c1-24-9-3-4-10(12(7-9)25-2)11-8-27-16(19-11)21-15(23)13-14(18)20-17-22(13)5-6-26-17/h3-8H,1-2H3,(H,19,21,23)
InChIKeyMQZWCZBVENTZGV-UHFFFAOYSA-N
XLogP4.44
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952159
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methoxyquinoline-2-carboxamide
CID 35804340
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110479
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 30245473
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 4111761
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide
CID 92551611
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 30659809
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenoxybenzamide
CID 2334070
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5219831
2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16550690

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 16605016) is 6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1ccc(-c2csc(NC(=O)c3c(Cl)nc4sccn34)n2)c(OC)c1.
What is the InChIKey of 6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is MQZWCZBVENTZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3S2/c1-24-9-3-4-10(12(7-9)25-2)11-8-27-16(19-11)21-15(23)13-14(18)20-17-22(13)5-6-26-17/h3-8H,1-2H3,(H,19,21,23).
What are the key properties of 6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 16605016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).