[1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C22H29N5O2S — CID 648500

IUPAC[1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(Nc2nc(C(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)cs2)cc1
InChIInChI=1S/C22H29N5O2S/c1-16-3-5-18(6-4-16)23-22-24-19(15-30-22)21(29)26-9-7-17(8-10-26)20(28)27-13-11-25(2)12-14-27/h3-6,15,17H,7-14H2,1-2H3,(H,23,24)
InChIKeyBRIZFWLVGJSKAH-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.82
Rot. Bonds4

About [1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 648500) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is [1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID648500
Molecular FormulaC22H29N5O2S
Molecular Weight427.57 g/mol
Exact Mass427.20
IUPAC Name[1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(Nc2nc(C(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)cs2)cc1
InChIInChI=1S/C22H29N5O2S/c1-16-3-5-18(6-4-16)23-22-24-19(15-30-22)21(29)26-9-7-17(8-10-26)20(28)27-13-11-25(2)12-14-27/h3-6,15,17H,7-14H2,1-2H3,(H,23,24)
InChIKeyBRIZFWLVGJSKAH-UHFFFAOYSA-N
XLogP2.82
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 3974706
1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 35263116
N-(3-methoxypropyl)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
CID 3471851
ethyl (3R)-1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate
CID 41201409
azepan-1-yl-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]methanone
CID 35263044
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118775973
[1-[6-(4-methylanilino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 53170560
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
2-[4-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 46079059
2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 42876759
[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 97061951
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818281

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 648500) is [1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)cs2)cc1.
What is the InChIKey of [1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BRIZFWLVGJSKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c1-16-3-5-18(6-4-16)23-22-24-19(15-30-22)21(29)26-9-7-17(8-10-26)20(28)27-13-11-25(2)12-14-27/h3-6,15,17H,7-14H2,1-2H3,(H,23,24).
What are the key properties of [1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 427.57 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 648500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).