N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide

C17H15ClN4O3S — CID 46970158

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)nc(OC)n1
InChIInChI=1S/C17H15ClN4O3S/c1-24-14-8-13(20-16(21-14)25-2)15(23)22-17-19-9-11(26-17)7-10-5-3-4-6-12(10)18/h3-6,8-9H,7H2,1-2H3,(H,19,22,23)
InChIKeyYJICEEMLGLXRQW-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.45
Rot. Bonds6

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide (PubChem CID 46970158) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide
PubChem CID46970158
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)nc(OC)n1
InChIInChI=1S/C17H15ClN4O3S/c1-24-14-8-13(20-16(21-14)25-2)15(23)22-17-19-9-11(26-17)7-10-5-3-4-6-12(10)18/h3-6,8-9H,7H2,1-2H3,(H,19,22,23)
InChIKeyYJICEEMLGLXRQW-UHFFFAOYSA-N
XLogP3.45
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
CID 46969715
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 135963079
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 46511635
3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 36782312
2-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120984436
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651562
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
CID 17034532
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55480337
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-(ethoxymethyl)furan-2-carboxamide
CID 18830695
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119698331
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(diethylamino)butanamide
CID 58033042

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide (CID 46970158) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide is COc1cc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)nc(OC)n1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide?
The InChIKey is YJICEEMLGLXRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-24-14-8-13(20-16(21-14)25-2)15(23)22-17-19-9-11(26-17)7-10-5-3-4-6-12(10)18/h3-6,8-9H,7H2,1-2H3,(H,19,22,23).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide has a molecular weight of 390.85 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,6-dimethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 46970158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).