N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline

C10H9IN2S — CID 130541161

IUPACN-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline
SMILESIc1cnc(CNc2ccccc2)s1
InChIInChI=1S/C10H9IN2S/c11-9-6-13-10(14-9)7-12-8-4-2-1-3-5-8/h1-6,12H,7H2
InChIKeyNSAVHSOFWMMNLN-UHFFFAOYSA-N
MW316.17 g/mol
LogP3.36
Rot. Bonds3

About N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline

N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline (PubChem CID 130541161) has the molecular formula C10H9IN2S and a molecular weight of 316.17 g/mol. Its IUPAC name is N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline
PubChem CID130541161
Molecular FormulaC10H9IN2S
Molecular Weight316.17 g/mol
Exact Mass315.95
IUPAC NameN-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline
SMILESIc1cnc(CNc2ccccc2)s1
InChIInChI=1S/C10H9IN2S/c11-9-6-13-10(14-9)7-12-8-4-2-1-3-5-8/h1-6,12H,7H2
InChIKeyNSAVHSOFWMMNLN-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline?
The IUPAC name of N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline (CID 130541161) is N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline.
What is the SMILES notation for N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline?
The canonical SMILES for N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline is Ic1cnc(CNc2ccccc2)s1.
What is the InChIKey of N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline?
The InChIKey is NSAVHSOFWMMNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2S/c11-9-6-13-10(14-9)7-12-8-4-2-1-3-5-8/h1-6,12H,7H2.
What are the key properties of N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline?
N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline has a molecular weight of 316.17 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline is sourced from PubChem (CID 130541161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).