N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H18ClN3O2S2 — CID 119934878

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccc2nc(NC(=O)CC3CSCCN3)sc2c1.Cl
InChIInChI=1S/C14H17N3O2S2.ClH/c1-19-10-2-3-11-12(7-10)21-14(16-11)17-13(18)6-9-8-20-5-4-15-9;/h2-3,7,9,15H,4-6,8H2,1H3,(H,16,17,18);1H
InChIKeyOJWSWTQNIWYQES-UHFFFAOYSA-N
MW359.90 g/mol
LogP2.76
Rot. Bonds4

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119934878) has the molecular formula C14H18ClN3O2S2 and a molecular weight of 359.90 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119934878
Molecular FormulaC14H18ClN3O2S2
Molecular Weight359.90 g/mol
Exact Mass359.05
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccc2nc(NC(=O)CC3CSCCN3)sc2c1.Cl
InChIInChI=1S/C14H17N3O2S2.ClH/c1-19-10-2-3-11-12(7-10)21-14(16-11)17-13(18)6-9-8-20-5-4-15-9;/h2-3,7,9,15H,4-6,8H2,1H3,(H,16,17,18);1H
InChIKeyOJWSWTQNIWYQES-UHFFFAOYSA-N
XLogP2.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-1,4-dithiane-2-carboxamide
CID 112759270
2-pyrrolidin-2-yl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 119696765
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669352
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
2-pyrrolidin-2-yl-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 119719224
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938117
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 655324
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxothiomorpholine-3-carboxamide
CID 110695611

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119934878) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is COc1ccc2nc(NC(=O)CC3CSCCN3)sc2c1.Cl.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is OJWSWTQNIWYQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2.ClH/c1-19-10-2-3-11-12(7-10)21-14(16-11)17-13(18)6-9-8-20-5-4-15-9;/h2-3,7,9,15H,4-6,8H2,1H3,(H,16,17,18);1H.
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119934878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).