5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

C18H17ClFN3O2S2 — CID 18583130

IUPAC5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C18H17ClFN3O2S2/c19-15-5-4-14(26-15)17(24)23(7-6-22-8-10-25-11-9-22)18-21-16-12(20)2-1-3-13(16)27-18/h1-5H,6-11H2
InChIKeyDGFAOKXUYWLBMI-UHFFFAOYSA-N
MW425.94 g/mol
LogP4.13
Rot. Bonds5

About 5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 18583130) has the molecular formula C18H17ClFN3O2S2 and a molecular weight of 425.94 g/mol. Its IUPAC name is 5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
PubChem CID18583130
Molecular FormulaC18H17ClFN3O2S2
Molecular Weight425.94 g/mol
Exact Mass425.04
IUPAC Name5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C18H17ClFN3O2S2/c19-15-5-4-14(26-15)17(24)23(7-6-22-8-10-25-11-9-22)18-21-16-12(20)2-1-3-13(16)27-18/h1-5H,6-11H2
InChIKeyDGFAOKXUYWLBMI-UHFFFAOYSA-N
XLogP4.13
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 18583127
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933048
2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933068
4-acetyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137701
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622447
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 16805789
5-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 29069264
3-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 25319351
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 18583161
5-chloro-N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 16808791
2-[(5-chlorothiophene-2-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium
CID 7511658
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 7622457

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (CID 18583130) is 5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is O=C(c1ccc(Cl)s1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1.
What is the InChIKey of 5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is DGFAOKXUYWLBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2S2/c19-15-5-4-14(26-15)17(24)23(7-6-22-8-10-25-11-9-22)18-21-16-12(20)2-1-3-13(16)27-18/h1-5H,6-11H2.
What are the key properties of 5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide has a molecular weight of 425.94 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 18583130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).