4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide

C15H18N4O2S — CID 125023729

IUPAC4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1cnc([C@@H]2CCCCO2)nc1
InChIInChI=1S/C15H18N4O2S/c1-10-13(22-9-19-10)15(20)18-8-11-6-16-14(17-7-11)12-4-2-3-5-21-12/h6-7,9,12H,2-5,8H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyZAFQAEIADXTGIY-LBPRGKRZSA-N
MW318.40 g/mol
LogP2.41
Rot. Bonds4

About 4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 125023729) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID125023729
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1cnc([C@@H]2CCCCO2)nc1
InChIInChI=1S/C15H18N4O2S/c1-10-13(22-9-19-10)15(20)18-8-11-6-16-14(17-7-11)12-4-2-3-5-21-12/h6-7,9,12H,2-5,8H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyZAFQAEIADXTGIY-LBPRGKRZSA-N
XLogP2.41
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-oxazole-5-carboxamide
CID 124977574
5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide
CID 124956730
5-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 110117708
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124954332
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 124973943
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide
CID 124949882
4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117829
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124955120
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 110117723
4-[(dimethylamino)methyl]-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]benzamide
CID 110117770
4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124945377
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124950410

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide (CID 125023729) is 4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCc1cnc([C@@H]2CCCCO2)nc1.
What is the InChIKey of 4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZAFQAEIADXTGIY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-13(22-9-19-10)15(20)18-8-11-6-16-14(17-7-11)12-4-2-3-5-21-12/h6-7,9,12H,2-5,8H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 125023729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).