6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane

C42H61ClN14S3 — CID 159791430

About 6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane

6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane (PubChem CID 159791430) has the molecular formula C42H61ClN14S3 and a molecular weight of 893.70 g/mol. Its IUPAC name is 6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane.

Molecular Properties

• Compound Name: 6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane
• PubChem CID: 159791430
• Molecular Formula: C42H61ClN14S3
• Molecular Weight: 893.70 g/mol
• Exact Mass: 892.41
• IUPAC Name: 6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane
• SMILES: C.C.C.CN(C)CCN(C)c1ccc2nc(N)sc2n1.Cc1ccc(C)n1-c1nc2ccc(N(C)CCN(C)C)nc2s1.Cc1ccc(C)n1-c1nc2ncc(Cl)nc2s1
• InChI: InChI=1S/C17H23N5S.C11H9ClN4S.C11H17N5S.3CH4/c1-12-6-7-13(2)22(12)17-18-14-8-9-15(19-16(14)23-17)21(5)11-10-20(3)4;1-6-3-4-7(2)16(6)11-15-9-10(17-11)14-8(12)5-13-9;1-15(2)6-7-16(3)9-5-4-8-10(14-9)17-11(12)13-8;;;/h6-9H,10-11H2,1-5H3;3-5H,1-2H3;4-5H,6-7H2,1-3H3,(H2,12,13);3*1H4
• InChIKey: NIPLPMACRZESSI-UHFFFAOYSA-N
• XLogP: 9.42
• TPSA: 139.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	893.70
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane?

The IUPAC name of 6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane (CID 159791430) is 6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane.

What is the SMILES notation for 6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane?

The canonical SMILES for 6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane is C.C.C.CN(C)CCN(C)c1ccc2nc(N)sc2n1.Cc1ccc(C)n1-c1nc2ccc(N(C)CCN(C)C)nc2s1.Cc1ccc(C)n1-c1nc2ncc(Cl)nc2s1.

What is the InChIKey of 6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane?

The InChIKey is NIPLPMACRZESSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S.C11H9ClN4S.C11H17N5S.3CH4/c1-12-6-7-13(2)22(12)17-18-14-8-9-15(19-16(14)23-17)21(5)11-10-20(3)4;1-6-3-4-7(2)16(6)11-15-9-10(17-11)14-8(12)5-13-9;1-15(2)6-7-16(3)9-5-4-8-10(14-9)17-11(12)13-8;;;/h6-9H,10-11H2,1-5H3;3-5H,1-2H3;4-5H,6-7H2,1-3H3,(H2,12,13);3*1H4.

What are the key properties of 6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane?

6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane has a molecular weight of 893.70 g/mol, XLogP of 9.42, 10 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[4,5-b]pyrazine;5-N-[2-(dimethylamino)ethyl]-5-N-methyl-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine;N'-[2-(2,5-dimethylpyrrol-1-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N,N,N'-trimethylethane-1,2-diamine;methane is sourced from PubChem (CID 159791430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).