N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

C19H21N5O2S — CID 138380305

IUPACN-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESCc1nc(CCN(C)C(=O)C2CCc3sc(-c4ccncc4)nc3C2)no1
InChIInChI=1S/C19H21N5O2S/c1-12-21-17(23-26-12)7-10-24(2)19(25)14-3-4-16-15(11-14)22-18(27-16)13-5-8-20-9-6-13/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3
InChIKeyWMQLEMAAVGARPY-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.70
Rot. Bonds5

About N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (PubChem CID 138380305) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
PubChem CID138380305
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESCc1nc(CCN(C)C(=O)C2CCc3sc(-c4ccncc4)nc3C2)no1
InChIInChI=1S/C19H21N5O2S/c1-12-21-17(23-26-12)7-10-24(2)19(25)14-3-4-16-15(11-14)22-18(27-16)13-5-8-20-9-6-13/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3
InChIKeyWMQLEMAAVGARPY-UHFFFAOYSA-N
XLogP2.70
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide with MolForge

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Related Compounds

N-(3-hydroxypropyl)-N-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138381472
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138382920
N-(cyclobutylmethyl)-N-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138386516
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138387753
N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138384560
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138387565
N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203403
2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82132812
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203522
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138383058
N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138378744
N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138380021

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (CID 138380305) is N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is Cc1nc(CCN(C)C(=O)C2CCc3sc(-c4ccncc4)nc3C2)no1.
What is the InChIKey of N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The InChIKey is WMQLEMAAVGARPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-21-17(23-26-12)7-10-24(2)19(25)14-3-4-16-15(11-14)22-18(27-16)13-5-8-20-9-6-13/h5-6,8-9,14H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 138380305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).