N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide

C21H22N2O3S — CID 19195208

IUPACN-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
SMILESCCCCOc1ccc(-c2csc(NC(=O)c3cccc(OC)c3)n2)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-4-12-26-17-10-8-15(9-11-17)19-14-27-21(22-19)23-20(24)16-6-5-7-18(13-16)25-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,23,24)
InChIKeyOHMVYBYLSGWKCF-UHFFFAOYSA-N
MW382.49 g/mol
LogP5.25
Rot. Bonds8

About N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide

N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide (PubChem CID 19195208) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
PubChem CID19195208
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
SMILESCCCCOc1ccc(-c2csc(NC(=O)c3cccc(OC)c3)n2)cc1
InChIInChI=1S/C21H22N2O3S/c1-3-4-12-26-17-10-8-15(9-11-17)19-14-27-21(22-19)23-20(24)16-6-5-7-18(13-16)25-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,23,24)
InChIKeyOHMVYBYLSGWKCF-UHFFFAOYSA-N
XLogP5.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4686613
3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 3524855
3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 7733305
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-pentoxybenzamide
CID 4646219
3-butoxy-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 2283270
4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3302590
4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5235425
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197481

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide (CID 19195208) is N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide is CCCCOc1ccc(-c2csc(NC(=O)c3cccc(OC)c3)n2)cc1.
What is the InChIKey of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The InChIKey is OHMVYBYLSGWKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-4-12-26-17-10-8-15(9-11-17)19-14-27-21(22-19)23-20(24)16-6-5-7-18(13-16)25-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide has a molecular weight of 382.49 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 19195208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).