(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone

C17H23N5OS — CID 126889178

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc(N(C)C2CCN(C(=O)c3sc(C)nc3C)CC2)ncn1
InChIInChI=1S/C17H23N5OS/c1-11-9-15(19-10-18-11)21(4)14-5-7-22(8-6-14)17(23)16-12(2)20-13(3)24-16/h9-10,14H,5-8H2,1-4H3
InChIKeyYLVITHAEVVWSCI-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.60
Rot. Bonds3

About (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 126889178) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
PubChem CID126889178
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc(N(C)C2CCN(C(=O)c3sc(C)nc3C)CC2)ncn1
InChIInChI=1S/C17H23N5OS/c1-11-9-15(19-10-18-11)21(4)14-5-7-22(8-6-14)17(23)16-12(2)20-13(3)24-16/h9-10,14H,5-8H2,1-4H3
InChIKeyYLVITHAEVVWSCI-UHFFFAOYSA-N
XLogP2.60
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 126889193
1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889184
isoquinolin-1-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889202
6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126889556
(4,4-difluorocyclohexyl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171333775
[4-(1-chloroethyl)piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 114033541
4-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126889278
[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 171336329
(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415
cyclopropyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 32890593
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343357
N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889416

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone (CID 126889178) is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone is Cc1cc(N(C)C2CCN(C(=O)c3sc(C)nc3C)CC2)ncn1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is YLVITHAEVVWSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11-9-15(19-10-18-11)21(4)14-5-7-22(8-6-14)17(23)16-12(2)20-13(3)24-16/h9-10,14H,5-8H2,1-4H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 126889178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).