N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide

C18H22N4OS — CID 99943907

IUPACN,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)N(C)[C@H](C)c3c(C)nn(C)c3C)cc2s1
InChIInChI=1S/C18H22N4OS/c1-10-17(12(3)22(6)20-10)11(2)21(5)18(23)14-7-8-15-16(9-14)24-13(4)19-15/h7-9,11H,1-6H3/t11-/m1/s1
InChIKeyISEGAUUHTAIKGX-LLVKDONJSA-N
MW342.47 g/mol
LogP3.79
Rot. Bonds3

About N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide

N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 99943907) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide
PubChem CID99943907
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)N(C)[C@H](C)c3c(C)nn(C)c3C)cc2s1
InChIInChI=1S/C18H22N4OS/c1-10-17(12(3)22(6)20-10)11(2)21(5)18(23)14-7-8-15-16(9-14)24-13(4)19-15/h7-9,11H,1-6H3/t11-/m1/s1
InChIKeyISEGAUUHTAIKGX-LLVKDONJSA-N
XLogP3.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide with MolForge

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Related Compounds

N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]furan-3-carboxamide
CID 74241118
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24666957
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126798041
(2-methyl-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
CID 3581764
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylnaphthalene-2-carboxamide
CID 8820294
N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen
CID 155749287
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 5210335
2-methyl-1,3-benzothiazole-6-sulfonyl fluoride
CID 150804150
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 70788438
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3,4-dichloro-N-methylbenzamide
CID 8820373
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68765772
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9469630

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide (CID 99943907) is N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide is Cc1nc2ccc(C(=O)N(C)[C@H](C)c3c(C)nn(C)c3C)cc2s1.
What is the InChIKey of N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is ISEGAUUHTAIKGX-LLVKDONJSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-10-17(12(3)22(6)20-10)11(2)21(5)18(23)14-7-8-15-16(9-14)24-13(4)19-15/h7-9,11H,1-6H3/t11-/m1/s1.
What are the key properties of N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide?
N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 99943907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).