N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide

C17H16N4O3S — CID 46969715

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ncc(Cc3ccccc3)s2)nc(OC)n1
InChIInChI=1S/C17H16N4O3S/c1-23-14-9-13(19-16(20-14)24-2)15(22)21-17-18-10-12(25-17)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,18,21,22)
InChIKeyLOLLLABPCJTMMN-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.79
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide

N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide (PubChem CID 46969715) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
PubChem CID46969715
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ncc(Cc3ccccc3)s2)nc(OC)n1
InChIInChI=1S/C17H16N4O3S/c1-23-14-9-13(19-16(20-14)24-2)15(22)21-17-18-10-12(25-17)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,18,21,22)
InChIKeyLOLLLABPCJTMMN-UHFFFAOYSA-N
XLogP2.79
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide (CID 46969715) is N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide is COc1cc(C(=O)Nc2ncc(Cc3ccccc3)s2)nc(OC)n1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide?
The InChIKey is LOLLLABPCJTMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-23-14-9-13(19-16(20-14)24-2)15(22)21-17-18-10-12(25-17)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,18,21,22).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 46969715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).