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

C17H14ClN3OS — CID 46511635

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cn1
InChIInChI=1S/C17H14ClN3OS/c1-11-6-7-13(9-19-11)16(22)21-17-20-10-14(23-17)8-12-4-2-3-5-15(12)18/h2-7,9-10H,8H2,1H3,(H,20,21,22)
InChIKeyLVSNTAPVBPBCEW-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.34
Rot. Bonds4

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

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide (PubChem CID 46511635) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
PubChem CID46511635
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cn1
InChIInChI=1S/C17H14ClN3OS/c1-11-6-7-13(9-19-11)16(22)21-17-20-10-14(23-17)8-12-4-2-3-5-15(12)18/h2-7,9-10H,8H2,1H3,(H,20,21,22)
InChIKeyLVSNTAPVBPBCEW-UHFFFAOYSA-N
XLogP4.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 30291826
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651562
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
CID 46510170
3-acetamido-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 36782312
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]dibenzofuran-2-carboxamide
CID 18876171
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]-4-(prop-2-ynylsulfamoyl)benzamide
CID 35804874
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoacetamide
CID 2068778
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 135963079
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119698331
2-N-[5-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-2,5-dicarboxamide
CID 51130187
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55480337

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide (CID 46511635) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cn1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is LVSNTAPVBPBCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-11-6-7-13(9-19-11)16(22)21-17-20-10-14(23-17)8-12-4-2-3-5-15(12)18/h2-7,9-10H,8H2,1H3,(H,20,21,22).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 46511635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).