4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide

C14H17N5O2S — CID 122318875

IUPAC4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C14H17N5O2S/c1-10-13(22-9-17-10)14(20)16-8-11-15-3-2-12(18-11)19-4-6-21-7-5-19/h2-3,9H,4-8H2,1H3,(H,16,20)
InChIKeyLLINXUFOLVWGMK-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.01
Rot. Bonds4

About 4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 122318875) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID122318875
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C14H17N5O2S/c1-10-13(22-9-17-10)14(20)16-8-11-15-3-2-12(18-11)19-4-6-21-7-5-19/h2-3,9H,4-8H2,1H3,(H,16,20)
InChIKeyLLINXUFOLVWGMK-UHFFFAOYSA-N
XLogP1.01
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide
CID 122318739
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
6-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318877
2,4-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 91966531
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
CID 122318793
4-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122352085
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122318855
3-methoxy-1-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide
CID 122318787
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]adamantane-1-carboxamide
CID 122318757
7-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122318745

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 122318875) is 4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCc1nccc(N2CCOCC2)n1.
What is the InChIKey of 4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LLINXUFOLVWGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-10-13(22-9-17-10)14(20)16-8-11-15-3-2-12(18-11)19-4-6-21-7-5-19/h2-3,9H,4-8H2,1H3,(H,16,20).
What are the key properties of 4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122318875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).