N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline

C13H15IN2S — CID 43124277

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline
SMILESCc1nc(C(C)Nc2ccc(I)cc2)c(C)s1
InChIInChI=1S/C13H15IN2S/c1-8(13-9(2)17-10(3)16-13)15-12-6-4-11(14)5-7-12/h4-8,15H,1-3H3
InChIKeyGJPNEHVUVHGAGE-UHFFFAOYSA-N
MW358.25 g/mol
LogP4.54
Rot. Bonds3

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline (PubChem CID 43124277) has the molecular formula C13H15IN2S and a molecular weight of 358.25 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline
PubChem CID43124277
Molecular FormulaC13H15IN2S
Molecular Weight358.25 g/mol
Exact Mass358.00
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline
SMILESCc1nc(C(C)Nc2ccc(I)cc2)c(C)s1
InChIInChI=1S/C13H15IN2S/c1-8(13-9(2)17-10(3)16-13)15-12-6-4-11(14)5-7-12/h4-8,15H,1-3H3
InChIKeyGJPNEHVUVHGAGE-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.54
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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline
CID 43123040
3-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylaniline
CID 43105437
4-bromo-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylaniline
CID 107571938
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylaniline
CID 43100230
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688296
2-chloro-5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N-methylbenzamide
CID 60935553
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethynylaniline
CID 43200554
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 26722635
2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43201329
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-propan-2-ylaniline
CID 43099408
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60943708
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 43108669

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline (CID 43124277) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline is Cc1nc(C(C)Nc2ccc(I)cc2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline?
The InChIKey is GJPNEHVUVHGAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2S/c1-8(13-9(2)17-10(3)16-13)15-12-6-4-11(14)5-7-12/h4-8,15H,1-3H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline has a molecular weight of 358.25 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline is sourced from PubChem (CID 43124277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).