4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide

C21H24N6O2S — CID 118143112

IUPAC4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCCN(c3cncc(Nc4cc(C)ns4)n3)C2)cc1
InChIInChI=1S/C21H24N6O2S/c1-14-10-20(30-26-14)25-18-11-22-12-19(24-18)27-9-3-4-16(13-27)23-21(28)15-5-7-17(29-2)8-6-15/h5-8,10-12,16H,3-4,9,13H2,1-2H3,(H,23,28)(H,24,25)/t16-/m1/s1
InChIKeyABOPDSLFSZYRFP-MRXNPFEDSA-N
MW424.53 g/mol
LogP3.39
Rot. Bonds6

About 4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide

4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide (PubChem CID 118143112) has the molecular formula C21H24N6O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide
PubChem CID118143112
Molecular FormulaC21H24N6O2S
Molecular Weight424.53 g/mol
Exact Mass424.17
IUPAC Name4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCCN(c3cncc(Nc4cc(C)ns4)n3)C2)cc1
InChIInChI=1S/C21H24N6O2S/c1-14-10-20(30-26-14)25-18-11-22-12-19(24-18)27-9-3-4-16(13-27)23-21(28)15-5-7-17(29-2)8-6-15/h5-8,10-12,16H,3-4,9,13H2,1-2H3,(H,23,28)(H,24,25)/t16-/m1/s1
InChIKeyABOPDSLFSZYRFP-MRXNPFEDSA-N
XLogP3.39
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3R)-1-[6-[4-(2-ethoxyethoxy)anilino]pyrazin-2-yl]piperidin-3-yl]-4-methoxybenzamide
CID 174974658
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 135361534
5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 161294354
5-[3-[[6-(dimethylamino)pyridine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 135361970
N-[1-[5-carbamoyl-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]-1-ethylindole-5-carboxamide
CID 135361829
5-[3-[(4-cyclopropyl-3-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 135361960
5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyridine-2-carboxamide
CID 118115182
4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 53181016
3-[4-(dimethylcarbamoyl)anilino]-5-[3-[(4-methoxybenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 118115397
3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
CID 126430008
N-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]acetamide
CID 171327953
N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide
CID 99741436

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide (CID 118143112) is 4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide is COc1ccc(C(=O)N[C@@H]2CCCN(c3cncc(Nc4cc(C)ns4)n3)C2)cc1.
What is the InChIKey of 4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide?
The InChIKey is ABOPDSLFSZYRFP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N6O2S/c1-14-10-20(30-26-14)25-18-11-22-12-19(24-18)27-9-3-4-16(13-27)23-21(28)15-5-7-17(29-2)8-6-15/h5-8,10-12,16H,3-4,9,13H2,1-2H3,(H,23,28)(H,24,25)/t16-/m1/s1.
What are the key properties of 4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide?
4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide has a molecular weight of 424.53 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3R)-1-[6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]benzamide is sourced from PubChem (CID 118143112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).