N-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine

C16H13IN2OS — CID 58911119

IUPACN-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1csc(Nc2ccc(I)cc2)n1
InChIInChI=1S/C16H13IN2OS/c1-20-15-5-3-2-4-13(15)14-10-21-16(19-14)18-12-8-6-11(17)7-9-12/h2-10H,1H3,(H,18,19)
InChIKeyZSLGRRJDPZBQAI-UHFFFAOYSA-N
MW408.26 g/mol
LogP5.17
Rot. Bonds4

About N-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine

N-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 58911119) has the molecular formula C16H13IN2OS and a molecular weight of 408.26 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID58911119
Molecular FormulaC16H13IN2OS
Molecular Weight408.26 g/mol
Exact Mass407.98
IUPAC NameN-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1csc(Nc2ccc(I)cc2)n1
InChIInChI=1S/C16H13IN2OS/c1-20-15-5-3-2-4-13(15)14-10-21-16(19-14)18-12-8-6-11(17)7-9-12/h2-10H,1H3,(H,18,19)
InChIKeyZSLGRRJDPZBQAI-UHFFFAOYSA-N
XLogP5.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.26
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine (CID 58911119) is N-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccccc1-c1csc(Nc2ccc(I)cc2)n1.
What is the InChIKey of N-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is ZSLGRRJDPZBQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2OS/c1-20-15-5-3-2-4-13(15)14-10-21-16(19-14)18-12-8-6-11(17)7-9-12/h2-10H,1H3,(H,18,19).
What are the key properties of N-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
N-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 408.26 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58911119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).