4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

C19H26N4O3S — CID 120640187

IUPAC4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CCNCC1
InChIInChI=1S/C19H26N4O3S/c1-25-13-19(4-6-20-7-5-19)17(24)21-14-2-3-15-16(12-14)27-18(22-15)23-8-10-26-11-9-23/h2-3,12,20H,4-11,13H2,1H3,(H,21,24)
InChIKeyRLVBVYAIEHRGID-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.09
Rot. Bonds5

About 4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide (PubChem CID 120640187) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
PubChem CID120640187
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CCNCC1
InChIInChI=1S/C19H26N4O3S/c1-25-13-19(4-6-20-7-5-19)17(24)21-14-2-3-15-16(12-14)27-18(22-15)23-8-10-26-11-9-23/h2-3,12,20H,4-11,13H2,1H3,(H,21,24)
InChIKeyRLVBVYAIEHRGID-UHFFFAOYSA-N
XLogP2.09
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
4-(methoxymethyl)-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 120626172
4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765
4-(methoxymethyl)-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120640895
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hexanamide
CID 43027638
2-(3-fluoro-4-methoxyphenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
CID 17470104
2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
2,2-dimethyl-N-[2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]propanamide
CID 36803011
1-(3-fluorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 55369497
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)morpholine-2-carboxamide;dihydrochloride
CID 119833487
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940783

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide (CID 120640187) is 4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide is COCC1(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
The InChIKey is RLVBVYAIEHRGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-25-13-19(4-6-20-7-5-19)17(24)21-14-2-3-15-16(12-14)27-18(22-15)23-8-10-26-11-9-23/h2-3,12,20H,4-11,13H2,1H3,(H,21,24).
What are the key properties of 4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide?
4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 120640187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).