benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C24H27N5O3S — CID 108793940

IUPACbenzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3nc(C)c(C(=O)OCc4ccccc4)s3)CC2)n1
InChIInChI=1S/C24H27N5O3S/c1-15-13-16(2)26-23(25-15)29-11-9-19(10-12-29)21(30)28-24-27-17(3)20(33-24)22(31)32-14-18-7-5-4-6-8-18/h4-8,13,19H,9-12,14H2,1-3H3,(H,27,28,30)
InChIKeyUYFAYUUQOHZMTB-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.07
Rot. Bonds6

About benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 108793940) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID108793940
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Namebenzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3nc(C)c(C(=O)OCc4ccccc4)s3)CC2)n1
InChIInChI=1S/C24H27N5O3S/c1-15-13-16(2)26-23(25-15)29-11-9-19(10-12-29)21(30)28-24-27-17(3)20(33-24)22(31)32-14-18-7-5-4-6-8-18/h4-8,13,19H,9-12,14H2,1-3H3,(H,27,28,30)
InChIKeyUYFAYUUQOHZMTB-UHFFFAOYSA-N
XLogP4.07
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 4-methyl-2-(phenylmethoxycarbonylamino)-1,3-thiazole-5-carboxylate
CID 53419430
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 108726775
benzyl 4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 110442130
ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
benzyl 4-methyl-2-[(4-methylthiadiazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 21008271
ethyl 4-methyl-2-[[1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 16934302
1-(4-methyl-6-phenylpyrimidin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 3228288
benzyl 4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 69072738
2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid
CID 108805793
N-(2-amino-2-oxoethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223325
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
ethyl 4-methyl-2-[[1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 16934537

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 108793940) is benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is Cc1cc(C)nc(N2CCC(C(=O)Nc3nc(C)c(C(=O)OCc4ccccc4)s3)CC2)n1.
What is the InChIKey of benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is UYFAYUUQOHZMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-15-13-16(2)26-23(25-15)29-11-9-19(10-12-29)21(30)28-24-27-17(3)20(33-24)22(31)32-14-18-7-5-4-6-8-18/h4-8,13,19H,9-12,14H2,1-3H3,(H,27,28,30).
What are the key properties of benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 465.58 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 108793940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).