3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

C19H23N7S — CID 118471377

IUPAC3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C2CCCN(Cc3c(C)nc4scc(C)n34)C2)n2ncnc2n1
InChIInChI=1S/C19H23N7S/c1-12-7-16(26-18(22-12)20-11-21-26)15-5-4-6-24(8-15)9-17-14(3)23-19-25(17)13(2)10-27-19/h7,10-11,15H,4-6,8-9H2,1-3H3
InChIKeyCMFDIHMJVAOFLP-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.14
Rot. Bonds3

About 3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 118471377) has the molecular formula C19H23N7S and a molecular weight of 381.51 g/mol. Its IUPAC name is 3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID118471377
Molecular FormulaC19H23N7S
Molecular Weight381.51 g/mol
Exact Mass381.17
IUPAC Name3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C2CCCN(Cc3c(C)nc4scc(C)n34)C2)n2ncnc2n1
InChIInChI=1S/C19H23N7S/c1-12-7-16(26-18(22-12)20-11-21-26)15-5-4-6-24(8-15)9-17-14(3)23-19-25(17)13(2)10-27-19/h7,10-11,15H,4-6,8-9H2,1-3H3
InChIKeyCMFDIHMJVAOFLP-UHFFFAOYSA-N
XLogP3.14
TPSA63.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9777003, Example 66
CID 118159421
US11186582, Example 205
CID 118472347
US11186582, Example 202
CID 118472381
US11186582, Example 201
CID 126615658
US11186582, Example 199
CID 118470986
US11186582, Example 194
CID 118472481
US11186582, Example 123
CID 118472611
US11186582, Example 206
CID 126615650
6-Methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 110245300
4-Methyl-5-[[2-methyl-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110100152
2-(3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-b]indazol-1-yl)-4-(5-imidazol-1-yl-2-pyridinyl)-1,3-thiazole
CID 118684943
5-[2,3-Dimethyl-1-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]butyl]-2-methyl-1,3-thiazole
CID 123265422

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 118471377) is 3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is Cc1cc(C2CCCN(Cc3c(C)nc4scc(C)n34)C2)n2ncnc2n1.
What is the InChIKey of 3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is CMFDIHMJVAOFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7S/c1-12-7-16(26-18(22-12)20-11-21-26)15-5-4-6-24(8-15)9-17-14(3)23-19-25(17)13(2)10-27-19/h7,10-11,15H,4-6,8-9H2,1-3H3.
What are the key properties of 3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 381.51 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 118471377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).