N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide

C18H15IN2O2S — CID 27009451

IUPACN-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1I
InChIInChI=1S/C18H15IN2O2S/c1-12-5-6-14(8-17(12)19)21-18(22)13-3-2-4-16(7-13)23-9-15-10-24-11-20-15/h2-8,10-11H,9H2,1H3,(H,21,22)
InChIKeyUVVVSGTTYDIDIT-UHFFFAOYSA-N
MW450.30 g/mol
LogP4.89
Rot. Bonds5

About N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 27009451) has the molecular formula C18H15IN2O2S and a molecular weight of 450.30 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID27009451
Molecular FormulaC18H15IN2O2S
Molecular Weight450.30 g/mol
Exact Mass449.99
IUPAC NameN-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1I
InChIInChI=1S/C18H15IN2O2S/c1-12-5-6-14(8-17(12)19)21-18(22)13-3-2-4-16(7-13)23-9-15-10-24-11-20-15/h2-8,10-11H,9H2,1H3,(H,21,22)
InChIKeyUVVVSGTTYDIDIT-UHFFFAOYSA-N
XLogP4.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.30
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27005757
N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 31521005
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27285386
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87008296
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34804612
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 41360644
tert-butyl N-[2-fluoro-5-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]carbamate
CID 55768238
N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86866369
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27286247

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 27009451) is N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is Cc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1I.
What is the InChIKey of N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is UVVVSGTTYDIDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN2O2S/c1-12-5-6-14(8-17(12)19)21-18(22)13-3-2-4-16(7-13)23-9-15-10-24-11-20-15/h2-8,10-11H,9H2,1H3,(H,21,22).
What are the key properties of N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 450.30 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 27009451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).