2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide

C15H19N5O2S — CID 72841535

IUPAC2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCc2csc(N3CCOCC3)n2)cn1
InChIInChI=1S/C15H19N5O2S/c1-2-13-16-7-11(8-17-13)14(21)18-9-12-10-23-15(19-12)20-3-5-22-6-4-20/h7-8,10H,2-6,9H2,1H3,(H,18,21)
InChIKeyJSICXJCRYPIWRU-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.26
Rot. Bonds5

About 2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide

2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 72841535) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
PubChem CID72841535
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCc2csc(N3CCOCC3)n2)cn1
InChIInChI=1S/C15H19N5O2S/c1-2-13-16-7-11(8-17-13)14(21)18-9-12-10-23-15(19-12)20-3-5-22-6-4-20/h7-8,10H,2-6,9H2,1H3,(H,18,21)
InChIKeyJSICXJCRYPIWRU-UHFFFAOYSA-N
XLogP1.26
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide (CID 72841535) is 2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)NCc2csc(N3CCOCC3)n2)cn1.
What is the InChIKey of 2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is JSICXJCRYPIWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-2-13-16-7-11(8-17-13)14(21)18-9-12-10-23-15(19-12)20-3-5-22-6-4-20/h7-8,10H,2-6,9H2,1H3,(H,18,21).
What are the key properties of 2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide?
2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72841535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).