2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide

C17H24N6O2S — CID 121075270

IUPAC2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(N2CCOCC2)nc(NCCNC(=O)c2sc(C)nc2C)n1
InChIInChI=1S/C17H24N6O2S/c1-11-10-14(23-6-8-25-9-7-23)22-17(20-11)19-5-4-18-16(24)15-12(2)21-13(3)26-15/h10H,4-9H2,1-3H3,(H,18,24)(H,19,20,22)
InChIKeyRUAGHNBCPZOJDM-UHFFFAOYSA-N
MW376.49 g/mol
LogP1.54
Rot. Bonds6

About 2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 121075270) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID121075270
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(N2CCOCC2)nc(NCCNC(=O)c2sc(C)nc2C)n1
InChIInChI=1S/C17H24N6O2S/c1-11-10-14(23-6-8-25-9-7-23)22-17(20-11)19-5-4-18-16(24)15-12(2)21-13(3)26-15/h10H,4-9H2,1-3H3,(H,18,24)(H,19,20,22)
InChIKeyRUAGHNBCPZOJDM-UHFFFAOYSA-N
XLogP1.54
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 56700108
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075218
2-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]propanamide
CID 121075210
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]naphthalene-2-carboxamide
CID 121075246
4-(dimethylamino)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 122295171
3,4,5-trimethoxy-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075232
3-bromo-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075278
2-chloro-4-fluoro-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075261
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-3-nitrobenzamide
CID 121075284
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-3-phenylpropanamide
CID 121075251
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-4-oxochromene-2-carboxamide
CID 122295157
2-(2-chloro-6-fluorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]acetamide
CID 122295266

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide (CID 121075270) is 2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide is Cc1cc(N2CCOCC2)nc(NCCNC(=O)c2sc(C)nc2C)n1.
What is the InChIKey of 2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RUAGHNBCPZOJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-11-10-14(23-6-8-25-9-7-23)22-17(20-11)19-5-4-18-16(24)15-12(2)21-13(3)26-15/h10H,4-9H2,1-3H3,(H,18,24)(H,19,20,22).
What are the key properties of 2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 121075270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).