N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C17H20N4O2S — CID 75392468

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1cn2c(CN(C)C(=O)c3noc4c3CCCC4)c(C)nc2s1
InChIInChI=1S/C17H20N4O2S/c1-10-8-21-13(11(2)18-17(21)24-10)9-20(3)16(22)15-12-6-4-5-7-14(12)23-19-15/h8H,4-7,9H2,1-3H3
InChIKeyGJTYXCPCWGFGGX-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.15
Rot. Bonds3

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 75392468) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID75392468
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1cn2c(CN(C)C(=O)c3noc4c3CCCC4)c(C)nc2s1
InChIInChI=1S/C17H20N4O2S/c1-10-8-21-13(11(2)18-17(21)24-10)9-20(3)16(22)15-12-6-4-5-7-14(12)23-19-15/h8H,4-7,9H2,1-3H3
InChIKeyGJTYXCPCWGFGGX-UHFFFAOYSA-N
XLogP3.15
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 75392468) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is Cc1cn2c(CN(C)C(=O)c3noc4c3CCCC4)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is GJTYXCPCWGFGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10-8-21-13(11(2)18-17(21)24-10)9-20(3)16(22)15-12-6-4-5-7-14(12)23-19-15/h8H,4-7,9H2,1-3H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 75392468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).