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

C12H13IN2S — CID 103601292

IUPAC4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C12H13IN2S/c1-8(2)14-12-15-11(7-16-12)9-3-5-10(13)6-4-9/h3-8H,1-2H3,(H,14,15)
InChIKeyLZPZDFMFRKQADN-UHFFFAOYSA-N
MW344.22 g/mol
LogP4.24
Rot. Bonds3

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

4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 103601292) has the molecular formula C12H13IN2S and a molecular weight of 344.22 g/mol. Its IUPAC name is 4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID103601292
Molecular FormulaC12H13IN2S
Molecular Weight344.22 g/mol
Exact Mass343.98
IUPAC Name4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C12H13IN2S/c1-8(2)14-12-15-11(7-16-12)9-3-5-10(13)6-4-9/h3-8H,1-2H3,(H,14,15)
InChIKeyLZPZDFMFRKQADN-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 54.24
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-(4-chlorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878374
4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878327
4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]benzoic acid
CID 59807342
4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62942920
4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 60675825
4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878385
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide
CID 55965522
N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 560642
(2S)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]propan-1-ol
CID 86618575
N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 9268587

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 103601292) is 4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1nc(-c2ccc(I)cc2)cs1.
What is the InChIKey of 4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is LZPZDFMFRKQADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2S/c1-8(2)14-12-15-11(7-16-12)9-3-5-10(13)6-4-9/h3-8H,1-2H3,(H,14,15).
What are the key properties of 4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 344.22 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 103601292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).