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

C16H21N5O2S — CID 74241900

IUPACN-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1csc(C(C)N(C)C(=O)c2cnc(N3CCOCC3)nc2)n1
InChIInChI=1S/C16H21N5O2S/c1-11-10-24-14(19-11)12(2)20(3)15(22)13-8-17-16(18-9-13)21-4-6-23-7-5-21/h8-10,12H,4-7H2,1-3H3
InChIKeyZFPSSQJRSNYKPJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.91
Rot. Bonds4

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

N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 74241900) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID74241900
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1csc(C(C)N(C)C(=O)c2cnc(N3CCOCC3)nc2)n1
InChIInChI=1S/C16H21N5O2S/c1-11-10-24-14(19-11)12(2)20(3)15(22)13-8-17-16(18-9-13)21-4-6-23-7-5-21/h8-10,12H,4-7H2,1-3H3
InChIKeyZFPSSQJRSNYKPJ-UHFFFAOYSA-N
XLogP1.91
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 74241900) is N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is Cc1csc(C(C)N(C)C(=O)c2cnc(N3CCOCC3)nc2)n1.
What is the InChIKey of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is ZFPSSQJRSNYKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11-10-24-14(19-11)12(2)20(3)15(22)13-8-17-16(18-9-13)21-4-6-23-7-5-21/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 74241900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).