N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide

C21H18N4O2S2 — CID 46520819

IUPACN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C21H18N4O2S2/c26-19(17-13-28-20(23-17)14-4-2-1-3-5-14)22-15-6-7-16-18(12-15)29-21(24-16)25-8-10-27-11-9-25/h1-7,12-13H,8-11H2,(H,22,26)
InChIKeyHKPWOAGLAALOHY-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.51
Rot. Bonds4

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

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 46520819) has the molecular formula C21H18N4O2S2 and a molecular weight of 422.54 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID46520819
Molecular FormulaC21H18N4O2S2
Molecular Weight422.54 g/mol
Exact Mass422.09
IUPAC NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C21H18N4O2S2/c26-19(17-13-28-20(23-17)14-4-2-1-3-5-14)22-15-6-7-16-18(12-15)29-21(24-16)25-8-10-27-11-9-25/h1-7,12-13H,8-11H2,(H,22,26)
InChIKeyHKPWOAGLAALOHY-UHFFFAOYSA-N
XLogP4.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
1-benzyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624581
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
2-benzyl-4-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,3-thiazole-5-carboxamide
CID 46437904
2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 25499411
N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 3861858
1,3,5-trimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide
CID 99172414
3-(2,6-dichlorophenyl)-5-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-4-carboxamide
CID 39624353

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 46520819) is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is HKPWOAGLAALOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S2/c26-19(17-13-28-20(23-17)14-4-2-1-3-5-14)22-15-6-7-16-18(12-15)29-21(24-16)25-8-10-27-11-9-25/h1-7,12-13H,8-11H2,(H,22,26).
What are the key properties of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 422.54 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46520819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).