N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride

C14H18ClN3O2S — CID 140822101

IUPACN-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCOCC1)c1cccc2ncsc12
InChIInChI=1S/C14H17N3O2S.ClH/c18-14(15-4-5-17-6-8-19-9-7-17)11-2-1-3-12-13(11)20-10-16-12;/h1-3,10H,4-9H2,(H,15,18);1H
InChIKeyJDOLXSNOOCBVFC-UHFFFAOYSA-N
MW327.84 g/mol
LogP1.78
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride

N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride (PubChem CID 140822101) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride
PubChem CID140822101
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCOCC1)c1cccc2ncsc12
InChIInChI=1S/C14H17N3O2S.ClH/c18-14(15-4-5-17-6-8-19-9-7-17)11-2-1-3-12-13(11)20-10-16-12;/h1-3,10H,4-9H2,(H,15,18);1H
InChIKeyJDOLXSNOOCBVFC-UHFFFAOYSA-N
XLogP1.78
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
6-hydroxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 59995050
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471
3-[[4-(2-morpholin-4-ylethylcarbamoyl)acridin-9-yl]amino]propanoic acid
CID 102280735
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 103875005
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
6-(2,6-diethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154157

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride (CID 140822101) is N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride is Cl.O=C(NCCN1CCOCC1)c1cccc2ncsc12.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride?
The InChIKey is JDOLXSNOOCBVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S.ClH/c18-14(15-4-5-17-6-8-19-9-7-17)11-2-1-3-12-13(11)20-10-16-12;/h1-3,10H,4-9H2,(H,15,18);1H.
What are the key properties of N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride?
N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride has a molecular weight of 327.84 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-7-carboxamide;hydrochloride is sourced from PubChem (CID 140822101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).