N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline

C11H10ClIN2S — CID 168581142

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
SMILESCc1cc(NCc2cnc(Cl)s2)ccc1I
InChIInChI=1S/C11H10ClIN2S/c1-7-4-8(2-3-10(7)13)14-5-9-6-15-11(12)16-9/h2-4,6,14H,5H2,1H3
InChIKeyDAMZWSQIYKZECG-UHFFFAOYSA-N
MW364.64 g/mol
LogP4.32
Rot. Bonds3

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline (PubChem CID 168581142) has the molecular formula C11H10ClIN2S and a molecular weight of 364.64 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
PubChem CID168581142
Molecular FormulaC11H10ClIN2S
Molecular Weight364.64 g/mol
Exact Mass363.93
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline
SMILESCc1cc(NCc2cnc(Cl)s2)ccc1I
InChIInChI=1S/C11H10ClIN2S/c1-7-4-8(2-3-10(7)13)14-5-9-6-15-11(12)16-9/h2-4,6,14H,5H2,1H3
InChIKeyDAMZWSQIYKZECG-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.64
LogP ≤ 54.32
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-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3,4-dimethylphenyl)aniline
CID 168582409
ethyl 4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylbenzoate
CID 168580385
N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-2-methylpropanamide
CID 168580981
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3,4-dimethylphenoxy)aniline
CID 168583067
1-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 168581662
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-iodo-4-methylaniline
CID 54883715
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 168579564
5-chloro-2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]isoindole-1,3-dione
CID 168581302
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-ethoxynaphthalen-2-amine
CID 168582544
N-[5-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-methylphenyl]-4-methylbenzamide
CID 168581864
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
CID 168579595

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline (CID 168581142) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline is Cc1cc(NCc2cnc(Cl)s2)ccc1I.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline?
The InChIKey is DAMZWSQIYKZECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN2S/c1-7-4-8(2-3-10(7)13)14-5-9-6-15-11(12)16-9/h2-4,6,14H,5H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline has a molecular weight of 364.64 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-iodo-3-methylaniline is sourced from PubChem (CID 168581142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).