N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

C19H18BrN3O2S — CID 20886712

IUPACN-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C19H18BrN3O2S/c20-15-3-1-2-13(10-15)12-21-18(24)14-4-5-16-17(11-14)26-19(22-16)23-6-8-25-9-7-23/h1-5,10-11H,6-9,12H2,(H,21,24)
InChIKeyYUDNDZOVYQHFDU-UHFFFAOYSA-N
MW432.34 g/mol
LogP3.83
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 20886712) has the molecular formula C19H18BrN3O2S and a molecular weight of 432.34 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
PubChem CID20886712
Molecular FormulaC19H18BrN3O2S
Molecular Weight432.34 g/mol
Exact Mass431.03
IUPAC NameN-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C19H18BrN3O2S/c20-15-3-1-2-13(10-15)12-21-18(24)14-4-5-16-17(11-14)26-19(22-16)23-6-8-25-9-7-23/h1-5,10-11H,6-9,12H2,(H,21,24)
InChIKeyYUDNDZOVYQHFDU-UHFFFAOYSA-N
XLogP3.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 20886690
2-morpholin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 117090418
N-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20889729
N-[(2-ethoxyphenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 20886710
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123
N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 117090773
N-(1,3-benzodioxol-5-ylmethyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 20889588
N-(3-methoxyphenyl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 46261522
N-[3-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589452
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate
CID 46261528
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 20889662

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (CID 20886712) is N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is O=C(NCc1cccc(Br)c1)c1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is YUDNDZOVYQHFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O2S/c20-15-3-1-2-13(10-15)12-21-18(24)14-4-5-16-17(11-14)26-19(22-16)23-6-8-25-9-7-23/h1-5,10-11H,6-9,12H2,(H,21,24).
What are the key properties of N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?
N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 432.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 20886712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).