2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide

C16H13Cl2N3O2S2 — CID 37040838

IUPAC2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H13Cl2N3O2S2/c17-13-8-10(14(18)25-13)15(22)19-9-1-2-11-12(7-9)24-16(20-11)21-3-5-23-6-4-21/h1-2,7-8H,3-6H2,(H,19,22)
InChIKeyQOFKBPQSOINART-UHFFFAOYSA-N
MW414.34 g/mol
LogP4.75
Rot. Bonds3

About 2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide

2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide (PubChem CID 37040838) has the molecular formula C16H13Cl2N3O2S2 and a molecular weight of 414.34 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
PubChem CID37040838
Molecular FormulaC16H13Cl2N3O2S2
Molecular Weight414.34 g/mol
Exact Mass412.98
IUPAC Name2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C16H13Cl2N3O2S2/c17-13-8-10(14(18)25-13)15(22)19-9-1-2-11-12(7-9)24-16(20-11)21-3-5-23-6-4-21/h1-2,7-8H,3-6H2,(H,19,22)
InChIKeyQOFKBPQSOINART-UHFFFAOYSA-N
XLogP4.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 25499411
2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
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)furan-3-carboxamide
CID 27021882
2-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 55432876
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 9166050
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46520819
1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide
CID 55756456
1,3,5-trimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide
CID 99172414
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide (CID 37040838) is 2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide is O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide?
The InChIKey is QOFKBPQSOINART-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2S2/c17-13-8-10(14(18)25-13)15(22)19-9-1-2-11-12(7-9)24-16(20-11)21-3-5-23-6-4-21/h1-2,7-8H,3-6H2,(H,19,22).
What are the key properties of 2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide has a molecular weight of 414.34 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide is sourced from PubChem (CID 37040838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).