5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C22H26N6OS — CID 26403512

IUPAC5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1n[nH]c(C)c1CNCc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12
InChIInChI=1S/C22H26N6OS/c1-15-18(16(2)26-25-15)13-23-14-19-20(24-22-28(19)11-12-30-22)21(29)27(3)10-9-17-7-5-4-6-8-17/h4-8,11-12,23H,9-10,13-14H2,1-3H3,(H,25,26)
InChIKeyRQROTUJODWFBSE-UHFFFAOYSA-N
MW422.56 g/mol
LogP3.34
Rot. Bonds8

About 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 26403512) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID26403512
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1n[nH]c(C)c1CNCc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12
InChIInChI=1S/C22H26N6OS/c1-15-18(16(2)26-25-15)13-23-14-19-20(24-22-28(19)11-12-30-22)21(29)27(3)10-9-17-7-5-4-6-8-17/h4-8,11-12,23H,9-10,13-14H2,1-3H3,(H,25,26)
InChIKeyRQROTUJODWFBSE-UHFFFAOYSA-N
XLogP3.34
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 26403512) is 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is Cc1n[nH]c(C)c1CNCc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12.
What is the InChIKey of 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is RQROTUJODWFBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-15-18(16(2)26-25-15)13-23-14-19-20(24-22-28(19)11-12-30-22)21(29)27(3)10-9-17-7-5-4-6-8-17/h4-8,11-12,23H,9-10,13-14H2,1-3H3,(H,25,26).
What are the key properties of 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 422.56 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 26403512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).