N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide

C15H20N6O2S — CID 122318739

IUPACN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C15H20N6O2S/c1-2-3-11-14(24-20-19-11)15(22)17-10-12-16-5-4-13(18-12)21-6-8-23-9-7-21/h4-5H,2-3,6-10H2,1H3,(H,17,22)
InChIKeyVAQPMUMGNNKRHJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.05
Rot. Bonds6

About N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 122318739) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide
PubChem CID122318739
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C15H20N6O2S/c1-2-3-11-14(24-20-19-11)15(22)17-10-12-16-5-4-13(18-12)21-6-8-23-9-7-21/h4-5H,2-3,6-10H2,1H3,(H,17,22)
InChIKeyVAQPMUMGNNKRHJ-UHFFFAOYSA-N
XLogP1.05
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122318875
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
CID 122318793
6-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318877
2-bromo-5-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122318855
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-phenylbutanamide
CID 72718115
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
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 122318833

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide (CID 122318739) is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCc1nccc(N2CCOCC2)n1.
What is the InChIKey of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is VAQPMUMGNNKRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-2-3-11-14(24-20-19-11)15(22)17-10-12-16-5-4-13(18-12)21-6-8-23-9-7-21/h4-5H,2-3,6-10H2,1H3,(H,17,22).
What are the key properties of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide?
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 122318739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).