4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

C11H11IN2S — CID 91268064

IUPAC4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCN(Cc1cscn1)c1ccc(I)cc1
InChIInChI=1S/C11H11IN2S/c1-14(6-10-7-15-8-13-10)11-4-2-9(12)3-5-11/h2-5,7-8H,6H2,1H3
InChIKeyKPPNZJXEFKFBCH-UHFFFAOYSA-N
MW330.19 g/mol
LogP3.38
Rot. Bonds3

About 4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline

4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 91268064) has the molecular formula C11H11IN2S and a molecular weight of 330.19 g/mol. Its IUPAC name is 4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID91268064
Molecular FormulaC11H11IN2S
Molecular Weight330.19 g/mol
Exact Mass329.97
IUPAC Name4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCN(Cc1cscn1)c1ccc(I)cc1
InChIInChI=1S/C11H11IN2S/c1-14(6-10-7-15-8-13-10)11-4-2-9(12)3-5-11/h2-5,7-8H,6H2,1H3
InChIKeyKPPNZJXEFKFBCH-UHFFFAOYSA-N
XLogP3.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R)-1-aminoethyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55189964
5-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-2-amine
CID 104841516
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63070347
4-(chloromethyl)-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 62128963
4-(bromomethyl)-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107082286
(1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132151
2-amino-4-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 104500473
N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 83122521
2-(1-hydroxyethyl)-5-[methyl(1,3-thiazol-4-ylmethyl)amino]phenol
CID 79603673
6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 103937223
2,3-difluoro-4-[methyl(1,3-thiazol-4-ylmethyl)amino]benzoic acid
CID 107935631
3-(aminomethyl)-5-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 102813798

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline (CID 91268064) is 4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is CN(Cc1cscn1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is KPPNZJXEFKFBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2S/c1-14(6-10-7-15-8-13-10)11-4-2-9(12)3-5-11/h2-5,7-8H,6H2,1H3.
What are the key properties of 4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline?
4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 330.19 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 91268064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).