N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide

C14H15IN2OS — CID 99787814

IUPACN-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide
SMILESCCc1nc(C)c(NC(=O)c2ccc(C)c(I)c2)s1
InChIInChI=1S/C14H15IN2OS/c1-4-12-16-9(3)14(19-12)17-13(18)10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyUWUHOELNCVKSSD-UHFFFAOYSA-N
MW386.26 g/mol
LogP4.18
Rot. Bonds3

About N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide

N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide (PubChem CID 99787814) has the molecular formula C14H15IN2OS and a molecular weight of 386.26 g/mol. Its IUPAC name is N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide
PubChem CID99787814
Molecular FormulaC14H15IN2OS
Molecular Weight386.26 g/mol
Exact Mass385.99
IUPAC NameN-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide
SMILESCCc1nc(C)c(NC(=O)c2ccc(C)c(I)c2)s1
InChIInChI=1S/C14H15IN2OS/c1-4-12-16-9(3)14(19-12)17-13(18)10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyUWUHOELNCVKSSD-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
CID 4936097
3-iodo-4-methylbenzohydrazide
CID 59732500
N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
CID 1014195
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
N-(4-butan-2-yloxyphenyl)-3-iodo-4-methylbenzamide
CID 17160577
5-[(4-chlorobenzoyl)amino]-2-ethyl-1,3-thiazole-4-carboxamide
CID 166419760
3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945980
3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide
CID 4531308
3-fluoro-2-iodo-N-(4-methyl-2-propyl-1,3-thiazol-5-yl)benzamide
CID 154805096
N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49325357
N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17149351
N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
CID 26160460

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide?
The IUPAC name of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide (CID 99787814) is N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide.
What is the SMILES notation for N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide?
The canonical SMILES for N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide is CCc1nc(C)c(NC(=O)c2ccc(C)c(I)c2)s1.
What is the InChIKey of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide?
The InChIKey is UWUHOELNCVKSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2OS/c1-4-12-16-9(3)14(19-12)17-13(18)10-6-5-8(2)11(15)7-10/h5-7H,4H2,1-3H3,(H,17,18).
What are the key properties of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide?
N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide has a molecular weight of 386.26 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-3-iodo-4-methylbenzamide is sourced from PubChem (CID 99787814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).