N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride

C19H22Cl2N4O3S — CID 71779925

IUPACN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N(CCN2CCOCC2)c2nc3c(C)c(Cl)ccc3s2)on1.Cl
InChIInChI=1S/C19H21ClN4O3S.ClH/c1-12-11-15(27-22-12)18(25)24(6-5-23-7-9-26-10-8-23)19-21-17-13(2)14(20)3-4-16(17)28-19;/h3-4,11H,5-10H2,1-2H3;1H
InChIKeyVZQWSXXUWREQNO-UHFFFAOYSA-N
MW457.38 g/mol
LogP3.96
Rot. Bonds5

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride (PubChem CID 71779925) has the molecular formula C19H22Cl2N4O3S and a molecular weight of 457.38 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
PubChem CID71779925
Molecular FormulaC19H22Cl2N4O3S
Molecular Weight457.38 g/mol
Exact Mass456.08
IUPAC NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N(CCN2CCOCC2)c2nc3c(C)c(Cl)ccc3s2)on1.Cl
InChIInChI=1S/C19H21ClN4O3S.ClH/c1-12-11-15(27-22-12)18(25)24(6-5-23-7-9-26-10-8-23)19-21-17-13(2)14(20)3-4-16(17)28-19;/h3-4,11H,5-10H2,1-2H3;1H
InChIKeyVZQWSXXUWREQNO-UHFFFAOYSA-N
XLogP3.96
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide
CID 30851392
5-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 43997358
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 18583482
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)furan-3-carboxamide
CID 43998397
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 29138709
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-bis(trifluoromethyl)benzamide
CID 43997568
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-cyano-N-(2-morpholin-4-ylethyl)benzamide
CID 29138718
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44936960
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44936971
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide
CID 30851394
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44937094
4-tert-butyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43999805

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride (CID 71779925) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride is Cc1cc(C(=O)N(CCN2CCOCC2)c2nc3c(C)c(Cl)ccc3s2)on1.Cl.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride?
The InChIKey is VZQWSXXUWREQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3S.ClH/c1-12-11-15(27-22-12)18(25)24(6-5-23-7-9-26-10-8-23)19-21-17-13(2)14(20)3-4-16(17)28-19;/h3-4,11H,5-10H2,1-2H3;1H.
What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride?
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride has a molecular weight of 457.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 71779925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).