2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide

C15H18N6O3S — CID 71035431

IUPAC2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cc(N2CCOCC2)ncn1)c1ncc(C(N)=O)s1
InChIInChI=1S/C15H18N6O3S/c1-9(15-17-7-11(25-15)13(16)22)20-14(23)10-6-12(19-8-18-10)21-2-4-24-5-3-21/h6-9H,2-5H2,1H3,(H2,16,22)(H,20,23)
InChIKeyLUAYLAMJDHZDAY-UHFFFAOYSA-N
MW362.42 g/mol
LogP0.36
Rot. Bonds5

About 2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide

2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 71035431) has the molecular formula C15H18N6O3S and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID71035431
Molecular FormulaC15H18N6O3S
Molecular Weight362.42 g/mol
Exact Mass362.12
IUPAC Name2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cc(N2CCOCC2)ncn1)c1ncc(C(N)=O)s1
InChIInChI=1S/C15H18N6O3S/c1-9(15-17-7-11(25-15)13(16)22)20-14(23)10-6-12(19-8-18-10)21-2-4-24-5-3-21/h6-9H,2-5H2,1H3,(H2,16,22)(H,20,23)
InChIKeyLUAYLAMJDHZDAY-UHFFFAOYSA-N
XLogP0.36
TPSA123.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide (CID 71035431) is 2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cc(N2CCOCC2)ncn1)c1ncc(C(N)=O)s1.
What is the InChIKey of 2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LUAYLAMJDHZDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3S/c1-9(15-17-7-11(25-15)13(16)22)20-14(23)10-6-12(19-8-18-10)21-2-4-24-5-3-21/h6-9H,2-5H2,1H3,(H2,16,22)(H,20,23).
What are the key properties of 2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 362.42 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-morpholin-4-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71035431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).