N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide

C17H23N3O2S — CID 51114210

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide
SMILESCC1CN(C(C)CNC(=O)c2ccc3ncsc3c2)CC(C)O1
InChIInChI=1S/C17H23N3O2S/c1-11(20-8-12(2)22-13(3)9-20)7-18-17(21)14-4-5-15-16(6-14)23-10-19-15/h4-6,10-13H,7-9H2,1-3H3,(H,18,21)
InChIKeyQCYVDTBNWNZIAT-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.52
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 51114210) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide
PubChem CID51114210
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide
SMILESCC1CN(C(C)CNC(=O)c2ccc3ncsc3c2)CC(C)O1
InChIInChI=1S/C17H23N3O2S/c1-11(20-8-12(2)22-13(3)9-20)7-18-17(21)14-4-5-15-16(6-14)23-10-19-15/h4-6,10-13H,7-9H2,1-3H3,(H,18,21)
InChIKeyQCYVDTBNWNZIAT-UHFFFAOYSA-N
XLogP2.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)propyl]pyridine-4-carboxamide
CID 42958335
1,3-benzothiazol-6-yl-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7096348
3-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
CID 42958339
N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-1,3-benzothiazole-6-carbohydrazide
CID 16813997
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 39651009
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-2-carboxamide
CID 98718393
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-(phenylcarbamoylamino)benzamide
CID 46439567
5-acetyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]thiophene-2-carboxamide
CID 94022762
2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
CID 46413957
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-1,3-benzothiazole-6-carboxamide
CID 99876364

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide (CID 51114210) is N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide is CC1CN(C(C)CNC(=O)c2ccc3ncsc3c2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is QCYVDTBNWNZIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11(20-8-12(2)22-13(3)9-20)7-18-17(21)14-4-5-15-16(6-14)23-10-19-15/h4-6,10-13H,7-9H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 51114210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).