2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

C11H11IN2S — CID 28878584

IUPAC2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2ccccc2I)cs1
InChIInChI=1S/C11H11IN2S/c1-8-14-9(7-15-8)6-13-11-5-3-2-4-10(11)12/h2-5,7,13H,6H2,1H3
InChIKeyOQSSUDOZSKDHQZ-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.67
Rot. Bonds3

About 2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline

2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 28878584) has the molecular formula C11H11IN2S and a molecular weight of 330.19 g/mol. Its IUPAC name is 2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID28878584
Molecular FormulaC11H11IN2S
Molecular Weight330.19 g/mol
Exact Mass329.97
IUPAC Name2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2ccccc2I)cs1
InChIInChI=1S/C11H11IN2S/c1-8-14-9(7-15-8)6-13-11-5-3-2-4-10(11)12/h2-5,7,13H,6H2,1H3
InChIKeyOQSSUDOZSKDHQZ-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.67
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

2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281093
2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28781106
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780978
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 43702314
2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine
CID 61285001
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 61284204
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine
CID 55214545
N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
CID 47292925
4-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 115468699
2-amino-N,N-dimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 107115943
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid
CID 63377198

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 28878584) is 2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is Cc1nc(CNc2ccccc2I)cs1.
What is the InChIKey of 2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is OQSSUDOZSKDHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2S/c1-8-14-9(7-15-8)6-13-11-5-3-2-4-10(11)12/h2-5,7,13H,6H2,1H3.
What are the key properties of 2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 330.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 28878584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).