N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride

C20H26ClN5O2S2 — CID 71779426

IUPACN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride
SMILESCc1cc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3snnc3C)nc2c1.Cl
InChIInChI=1S/C20H25N5O2S2.ClH/c1-13-11-14(2)17-16(12-13)21-20(28-17)25(19(26)18-15(3)22-23-29-18)6-4-5-24-7-9-27-10-8-24;/h11-12H,4-10H2,1-3H3;1H
InChIKeyCIJUPAHYMAYDPB-UHFFFAOYSA-N
MW468.05 g/mol
LogP3.86
Rot. Bonds6

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride (PubChem CID 71779426) has the molecular formula C20H26ClN5O2S2 and a molecular weight of 468.05 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride
PubChem CID71779426
Molecular FormulaC20H26ClN5O2S2
Molecular Weight468.05 g/mol
Exact Mass467.12
IUPAC NameN-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride
SMILESCc1cc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3snnc3C)nc2c1.Cl
InChIInChI=1S/C20H25N5O2S2.ClH/c1-13-11-14(2)17-16(12-13)21-20(28-17)25(19(26)18-15(3)22-23-29-18)6-4-5-24-7-9-27-10-8-24;/h11-12H,4-10H2,1-3H3;1H
InChIKeyCIJUPAHYMAYDPB-UHFFFAOYSA-N
XLogP3.86
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.05
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 18581843
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CID 30715249
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
CID 8698521
2-(4-chlorophenyl)sulfanyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 29072210
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 29151663
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride
CID 44937800
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CID 44936114
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29138313
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138333
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 43998230
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)thiadiazole-5-carboxamide
CID 43997954
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)acetamide
CID 29138327

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride (CID 71779426) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride is Cc1cc(C)c2sc(N(CCCN3CCOCC3)C(=O)c3snnc3C)nc2c1.Cl.
What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride?
The InChIKey is CIJUPAHYMAYDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S2.ClH/c1-13-11-14(2)17-16(12-13)21-20(28-17)25(19(26)18-15(3)22-23-29-18)6-4-5-24-7-9-27-10-8-24;/h11-12H,4-10H2,1-3H3;1H.
What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride?
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride has a molecular weight of 468.05 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 71779426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).