methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate

C16H20ClN5O2S — CID 133336131

IUPACmethyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CCN(c3cc(C)nc(C)n3)CC2)nc1Cl
InChIInChI=1S/C16H20ClN5O2S/c1-9-8-12(19-10(2)18-9)22-6-4-11(5-7-22)20-16-21-14(17)13(25-16)15(23)24-3/h8,11H,4-7H2,1-3H3,(H,20,21)
InChIKeyUBVJDWQGEXEXDP-UHFFFAOYSA-N
MW381.89 g/mol
LogP3.07
Rot. Bonds4

About methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 133336131) has the molecular formula C16H20ClN5O2S and a molecular weight of 381.89 g/mol. Its IUPAC name is methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate
PubChem CID133336131
Molecular FormulaC16H20ClN5O2S
Molecular Weight381.89 g/mol
Exact Mass381.10
IUPAC Namemethyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CCN(c3cc(C)nc(C)n3)CC2)nc1Cl
InChIInChI=1S/C16H20ClN5O2S/c1-9-8-12(19-10(2)18-9)22-6-4-11(5-7-22)20-16-21-14(17)13(25-16)15(23)24-3/h8,11H,4-7H2,1-3H3,(H,20,21)
InChIKeyUBVJDWQGEXEXDP-UHFFFAOYSA-N
XLogP3.07
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate
CID 47257578
methyl 4-chloro-2-[(1-cyclopentylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 133320343
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 133336157
methyl 4-chloro-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 65470334
methyl 4-chloro-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]amino]-1,3-thiazole-5-carboxylate
CID 86814445
6-tert-butyl-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133336089
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411
4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid
CID 117258667
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 122141204
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate
CID 64921664

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate (CID 133336131) is methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC2CCN(c3cc(C)nc(C)n3)CC2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is UBVJDWQGEXEXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2S/c1-9-8-12(19-10(2)18-9)22-6-4-11(5-7-22)20-16-21-14(17)13(25-16)15(23)24-3/h8,11H,4-7H2,1-3H3,(H,20,21).
What are the key properties of methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 381.89 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 133336131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).