2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide

C21H18N2O2S — CID 24646797

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide
SMILESCc1nc(COc2ccccc2C(=O)NCC#Cc2ccccc2)cs1
InChIInChI=1S/C21H18N2O2S/c1-16-23-18(15-26-16)14-25-20-12-6-5-11-19(20)21(24)22-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,15H,13-14H2,1H3,(H,22,24)
InChIKeyMPFPGMAMNRUBPC-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.81
Rot. Bonds5

About 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide

2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide (PubChem CID 24646797) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide
PubChem CID24646797
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide
SMILESCc1nc(COc2ccccc2C(=O)NCC#Cc2ccccc2)cs1
InChIInChI=1S/C21H18N2O2S/c1-16-23-18(15-26-16)14-25-20-12-6-5-11-19(20)21(24)22-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,15H,13-14H2,1H3,(H,22,24)
InChIKeyMPFPGMAMNRUBPC-UHFFFAOYSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-prop-2-ynylbenzamide
CID 24641781
N-[(2-methoxyphenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9404884
N-[(2-chlorophenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9401470
N-(4-carbamoylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17497709
2-(1,3-thiazol-4-ylmethoxy)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 78841200
1-methyl-N'-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]indole-3-carbohydrazide
CID 24515758
[2-(2-chlorophenyl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731957
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8732248
ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24599388
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24642515
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 9043710
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731788

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide (CID 24646797) is 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide is Cc1nc(COc2ccccc2C(=O)NCC#Cc2ccccc2)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide?
The InChIKey is MPFPGMAMNRUBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-16-23-18(15-26-16)14-25-20-12-6-5-11-19(20)21(24)22-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,15H,13-14H2,1H3,(H,22,24).
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide?
2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide has a molecular weight of 362.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-phenylprop-2-ynyl)benzamide is sourced from PubChem (CID 24646797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).