5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide

C19H22N4O2S — CID 45148711

IUPAC5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1cnc(C)n1Cc1ccc(C(=O)Nc2nc3c(s2)CC(C)CC3)o1
InChIInChI=1S/C19H22N4O2S/c1-11-4-6-15-17(8-11)26-19(21-15)22-18(24)16-7-5-14(25-16)10-23-12(2)9-20-13(23)3/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,21,22,24)
InChIKeyXMMVQEKTPREDJS-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.97
Rot. Bonds4

About 5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide

5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 45148711) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID45148711
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1cnc(C)n1Cc1ccc(C(=O)Nc2nc3c(s2)CC(C)CC3)o1
InChIInChI=1S/C19H22N4O2S/c1-11-4-6-15-17(8-11)26-19(21-15)22-18(24)16-7-5-14(25-16)10-23-12(2)9-20-13(23)3/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,21,22,24)
InChIKeyXMMVQEKTPREDJS-UHFFFAOYSA-N
XLogP3.97
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 35524471
5-bromo-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 42280055
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 976760
4-(5-methylpyrazol-1-yl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 32573806
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
CID 25284514
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 18270741
6-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17168198
5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 16953633
2-(4-fluorophenyl)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 7597148
4-fluoro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3621249
4-bromo-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 7064945

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 45148711) is 5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide is Cc1cnc(C)n1Cc1ccc(C(=O)Nc2nc3c(s2)CC(C)CC3)o1.
What is the InChIKey of 5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is XMMVQEKTPREDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-11-4-6-15-17(8-11)26-19(21-15)22-18(24)16-7-5-14(25-16)10-23-12(2)9-20-13(23)3/h5,7,9,11H,4,6,8,10H2,1-3H3,(H,21,22,24).
What are the key properties of 5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 45148711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).