N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C12H14ClIN2S — CID 107858227

IUPACN-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CSC(Nc2ccc(Cl)cc2I)=N1
InChIInChI=1S/C12H14ClIN2S/c1-7(2)11-6-17-12(16-11)15-10-4-3-8(13)5-9(10)14/h3-5,7,11H,6H2,1-2H3,(H,15,16)
InChIKeyASWQNVCOIALCGH-UHFFFAOYSA-N
MW380.68 g/mol
LogP4.48
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107858227) has the molecular formula C12H14ClIN2S and a molecular weight of 380.68 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107858227
Molecular FormulaC12H14ClIN2S
Molecular Weight380.68 g/mol
Exact Mass379.96
IUPAC NameN-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CSC(Nc2ccc(Cl)cc2I)=N1
InChIInChI=1S/C12H14ClIN2S/c1-7(2)11-6-17-12(16-11)15-10-4-3-8(13)5-9(10)14/h3-5,7,11H,6H2,1-2H3,(H,15,16)
InChIKeyASWQNVCOIALCGH-UHFFFAOYSA-N
XLogP4.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.68
LogP ≤ 54.48
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

(4S)-N-(2,4-dichlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246788
N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858039
(4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 81275237
N-(5-iodo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114257714
(4S)-N-(2,5-dichloro-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114983249
(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247207
(4S)-N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246372
3-fluoro-4-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 107858075
(4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246370
N-(2-bromo-5-chloro-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858130
(4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 79246171
N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114009788

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 107858227) is N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)C1CSC(Nc2ccc(Cl)cc2I)=N1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ASWQNVCOIALCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIN2S/c1-7(2)11-6-17-12(16-11)15-10-4-3-8(13)5-9(10)14/h3-5,7,11H,6H2,1-2H3,(H,15,16).
What are the key properties of N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 380.68 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107858227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).