N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide

C11H11N5O3S — CID 91628562

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2nc(CC(N)=O)cs2)ncn1
InChIInChI=1S/C11H11N5O3S/c1-19-9-3-7(13-5-14-9)10(18)16-11-15-6(4-20-11)2-8(12)17/h3-5H,2H2,1H3,(H2,12,17)(H,15,16,18)
InChIKeyMGIJIDVIPRRQJO-UHFFFAOYSA-N
MW293.31 g/mol
LogP0.22
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide (PubChem CID 91628562) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide
PubChem CID91628562
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2nc(CC(N)=O)cs2)ncn1
InChIInChI=1S/C11H11N5O3S/c1-19-9-3-7(13-5-14-9)10(18)16-11-15-6(4-20-11)2-8(12)17/h3-5H,2H2,1H3,(H2,12,17)(H,15,16,18)
InChIKeyMGIJIDVIPRRQJO-UHFFFAOYSA-N
XLogP0.22
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide (CID 91628562) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide is COc1cc(C(=O)Nc2nc(CC(N)=O)cs2)ncn1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide?
The InChIKey is MGIJIDVIPRRQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-19-9-3-7(13-5-14-9)10(18)16-11-15-6(4-20-11)2-8(12)17/h3-5H,2H2,1H3,(H2,12,17)(H,15,16,18).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide has a molecular weight of 293.31 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 91628562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).