methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate

C15H17N5O3S — CID 166070952

IUPACmethyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(NC2CCN(C(=O)c3cncs3)CC2)ncn1
InChIInChI=1S/C15H17N5O3S/c1-23-15(22)11-6-13(18-8-17-11)19-10-2-4-20(5-3-10)14(21)12-7-16-9-24-12/h6-10H,2-5H2,1H3,(H,17,18,19)
InChIKeyFCTRRIHZQQYXBP-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.44
Rot. Bonds4

About methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate

methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate (PubChem CID 166070952) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate
PubChem CID166070952
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Namemethyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(NC2CCN(C(=O)c3cncs3)CC2)ncn1
InChIInChI=1S/C15H17N5O3S/c1-23-15(22)11-6-13(18-8-17-11)19-10-2-4-20(5-3-10)14(21)12-7-16-9-24-12/h6-10H,2-5H2,1H3,(H,17,18,19)
InChIKeyFCTRRIHZQQYXBP-UHFFFAOYSA-N
XLogP1.44
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
CID 166070841
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 130405890
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126887972
(4-pyrazin-2-yloxypiperidin-1-yl)-(1,3-thiazol-5-yl)methanone
CID 95811378
1H-imidazol-5-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887552
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 126887928
[6-(cyclopropylamino)pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109339086
(4-methoxyphenyl)-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]methanone
CID 167817734
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109338885
6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 175892409
(5-tert-butyl-1H-pyrazol-3-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126888003

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate (CID 166070952) is methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate is COC(=O)c1cc(NC2CCN(C(=O)c3cncs3)CC2)ncn1.
What is the InChIKey of methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate?
The InChIKey is FCTRRIHZQQYXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-23-15(22)11-6-13(18-8-17-11)19-10-2-4-20(5-3-10)14(21)12-7-16-9-24-12/h6-10H,2-5H2,1H3,(H,17,18,19).
What are the key properties of methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate?
methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate has a molecular weight of 347.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]amino]pyrimidine-4-carboxylate is sourced from PubChem (CID 166070952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).