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

C23H23ClN2O3S — CID 11604668

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)CCOCC2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-28-18-8-6-17(7-9-18)23(10-12-29-13-11-23)21(27)26-22-25-15-19(30-22)14-16-4-2-3-5-20(16)24/h2-9,15H,10-14H2,1H3,(H,25,26,27)
InChIKeyNXCJNXGTUZVHOX-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.08
Rot. Bonds6

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

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide (PubChem CID 11604668) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide
PubChem CID11604668
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)CCOCC2)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-28-18-8-6-17(7-9-18)23(10-12-29-13-11-23)21(27)26-22-25-15-19(30-22)14-16-4-2-3-5-20(16)24/h2-9,15H,10-14H2,1H3,(H,25,26,27)
InChIKeyNXCJNXGTUZVHOX-UHFFFAOYSA-N
XLogP5.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 11683549
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 58610007
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 11581668
2-[[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 24593975
N-[5-[(2-chlorophenyl)methyl]-1-methylimidazol-2-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 58609829
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
CID 17034532
N-[5-[(E)-but-2-enyl]-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide;(E)-2-chlorobut-2-ene
CID 143087464
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 37037931
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-(1,3-benzodioxol-5-yl)-N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 140500368
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]-2,6-dimethoxypyrimidine-4-carboxamide
CID 46970158

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide (CID 11604668) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide is COc1ccc(C2(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)CCOCC2)cc1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
The InChIKey is NXCJNXGTUZVHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-28-18-8-6-17(7-9-18)23(10-12-29-13-11-23)21(27)26-22-25-15-19(30-22)14-16-4-2-3-5-20(16)24/h2-9,15H,10-14H2,1H3,(H,25,26,27).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide has a molecular weight of 442.97 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide is sourced from PubChem (CID 11604668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).