2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide

C23H22N4O2S2 — CID 46437904

IUPAC2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C23H22N4O2S2/c1-15-21(31-20(24-15)13-16-5-3-2-4-6-16)22(28)25-17-7-8-18-19(14-17)30-23(26-18)27-9-11-29-12-10-27/h2-8,14H,9-13H2,1H3,(H,25,28)
InChIKeyAYTMPOXIURSVNQ-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.74
Rot. Bonds5

About 2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide

2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide (PubChem CID 46437904) has the molecular formula C23H22N4O2S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide
PubChem CID46437904
Molecular FormulaC23H22N4O2S2
Molecular Weight450.59 g/mol
Exact Mass450.12
IUPAC Name2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C23H22N4O2S2/c1-15-21(31-20(24-15)13-16-5-3-2-4-6-16)22(28)25-17-7-8-18-19(14-17)30-23(26-18)27-9-11-29-12-10-27/h2-8,14H,9-13H2,1H3,(H,25,28)
InChIKeyAYTMPOXIURSVNQ-UHFFFAOYSA-N
XLogP4.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
2-benzyl-4-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55906052
2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35534478
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46520819
1,3,5-trimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide
CID 99172414
2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46430563
1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624581
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide (CID 46437904) is 2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of 2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is AYTMPOXIURSVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S2/c1-15-21(31-20(24-15)13-16-5-3-2-4-6-16)22(28)25-17-7-8-18-19(14-17)30-23(26-18)27-9-11-29-12-10-27/h2-8,14H,9-13H2,1H3,(H,25,28).
What are the key properties of 2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide?
2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46437904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).