[4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine

C10H9IN2S — CID 66223467

IUPAC[4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2ncc(I)s2)cc1
InChIInChI=1S/C10H9IN2S/c11-9-6-13-10(14-9)8-3-1-7(5-12)2-4-8/h1-4,6H,5,12H2
InChIKeySLLVZHNODZDROU-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.87
Rot. Bonds2

About [4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine

[4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine (PubChem CID 66223467) has the molecular formula C10H9IN2S and a molecular weight of 316.17 g/mol. Its IUPAC name is [4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine
PubChem CID66223467
Molecular FormulaC10H9IN2S
Molecular Weight316.17 g/mol
Exact Mass315.95
IUPAC Name[4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2ncc(I)s2)cc1
InChIInChI=1S/C10H9IN2S/c11-9-6-13-10(14-9)8-3-1-7(5-12)2-4-8/h1-4,6H,5,12H2
InChIKeySLLVZHNODZDROU-UHFFFAOYSA-N
XLogP2.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.87
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

(4-(1,3-Thiazol-2-yl)phenyl)methanamine
CID 21066395
2-Phenylthiazole
CID 547494
(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
5-Bromo-2-phenyl-1,3-thiazole
CID 13546649
Phenyl(1,3-thiazol-2-yl)methanamine
CID 20773071
[3-(1,3-Thiazol-2-YL)phenyl]methylamine
CID 18525727
2,5-Diphenylthiazole
CID 3014233
4-(1,3-Thiazol-2-yl)aniline
CID 3474784
4-[2-(4-Carbamimidoylphenyl)thiazol-5-yl]benzamidine
CID 46844898
N-Methyl-4-(1,3-thiazol-2-yl)benzylamine
CID 18525747

Frequently Asked Questions

What is the IUPAC name of [4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine (CID 66223467) is [4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine is NCc1ccc(-c2ncc(I)s2)cc1.
What is the InChIKey of [4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine?
The InChIKey is SLLVZHNODZDROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2S/c11-9-6-13-10(14-9)8-3-1-7(5-12)2-4-8/h1-4,6H,5,12H2.
What are the key properties of [4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine?
[4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine has a molecular weight of 316.17 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-iodo-1,3-thiazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 66223467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).