N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

C21H26N8O2S — CID 90520137

IUPACN,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C2CCN(c3cc(-n4ccnc4C)ncn3)CC2)sc1C(=O)N(C)C
InChIInChI=1S/C21H26N8O2S/c1-13-18(20(31)27(3)4)32-21(25-13)26-19(30)15-5-8-28(9-6-15)16-11-17(24-12-23-16)29-10-7-22-14(29)2/h7,10-12,15H,5-6,8-9H2,1-4H3,(H,25,26,30)
InChIKeyUOIHBICYWADMFY-UHFFFAOYSA-N
MW454.56 g/mol
LogP2.29
Rot. Bonds5

About N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 90520137) has the molecular formula C21H26N8O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID90520137
Molecular FormulaC21H26N8O2S
Molecular Weight454.56 g/mol
Exact Mass454.19
IUPAC NameN,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)C2CCN(c3cc(-n4ccnc4C)ncn3)CC2)sc1C(=O)N(C)C
InChIInChI=1S/C21H26N8O2S/c1-13-18(20(31)27(3)4)32-21(25-13)26-19(30)15-5-8-28(9-6-15)16-11-17(24-12-23-16)29-10-7-22-14(29)2/h7,10-12,15H,5-6,8-9H2,1-4H3,(H,25,26,30)
InChIKeyUOIHBICYWADMFY-UHFFFAOYSA-N
XLogP2.29
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N,N,4-trimethyl-2-[[(3S)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 95367717
N-(4-chlorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520063
2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carbonyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 90520886
N-(2-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519982
N-[2-(2-methylimidazol-1-yl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520151
methyl 4-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90520001
N-(2-ethylphenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520046
N-(2,4-dichlorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520083
N-(2,4-difluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519984
N-(4,6-dihydrothieno[3,4-c][1,2]oxazol-3-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520133
N-(9H-fluoren-2-yl)-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520131
[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 90520093

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide (CID 90520137) is N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)C2CCN(c3cc(-n4ccnc4C)ncn3)CC2)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is UOIHBICYWADMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O2S/c1-13-18(20(31)27(3)4)32-21(25-13)26-19(30)15-5-8-28(9-6-15)16-11-17(24-12-23-16)29-10-7-22-14(29)2/h7,10-12,15H,5-6,8-9H2,1-4H3,(H,25,26,30).
What are the key properties of N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 454.56 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90520137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).