N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride

C17H24Cl2N4O2S2 — CID 119940783

IUPACN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C17H22N4O2S2.2ClH/c22-16(10-13-11-24-8-3-18-13)19-12-1-2-14-15(9-12)25-17(20-14)21-4-6-23-7-5-21;;/h1-2,9,13,18H,3-8,10-11H2,(H,19,22);2*1H
InChIKeyIMGNBKKMPVPEHF-UHFFFAOYSA-N
MW451.45 g/mol
LogP3.01
Rot. Bonds4

About N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride (PubChem CID 119940783) has the molecular formula C17H24Cl2N4O2S2 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
PubChem CID119940783
Molecular FormulaC17H24Cl2N4O2S2
Molecular Weight451.45 g/mol
Exact Mass450.07
IUPAC NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)Nc1ccc2nc(N3CCOCC3)sc2c1
InChIInChI=1S/C17H22N4O2S2.2ClH/c22-16(10-13-11-24-8-3-18-13)19-12-1-2-14-15(9-12)25-17(20-14)21-4-6-23-7-5-21;;/h1-2,9,13,18H,3-8,10-11H2,(H,19,22);2*1H
InChIKeyIMGNBKKMPVPEHF-UHFFFAOYSA-N
XLogP3.01
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940974
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
CID 43027638
N-[4-(2-morpholin-4-ylethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941502
(1R,2R,4S)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98291832
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride
CID 119833487
2,2-dimethyl-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]propanamide
CID 36803011
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936357
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765
N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66423032
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934956

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride (CID 119940783) is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The canonical SMILES for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CSCCN1)Nc1ccc2nc(N3CCOCC3)sc2c1.
What is the InChIKey of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
The InChIKey is IMGNBKKMPVPEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S2.2ClH/c22-16(10-13-11-24-8-3-18-13)19-12-1-2-14-15(9-12)25-17(20-14)21-4-6-23-7-5-21;;/h1-2,9,13,18H,3-8,10-11H2,(H,19,22);2*1H.
What are the key properties of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride?
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride has a molecular weight of 451.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 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-thiomorpholin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119940783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).