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

C10H10ClIN2S — CID 107607250

IUPACN-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(Nc2ccc(I)cc2Cl)=N1
InChIInChI=1S/C10H10ClIN2S/c1-6-5-15-10(13-6)14-9-3-2-7(12)4-8(9)11/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyQYGGBOHVUADXRB-UHFFFAOYSA-N
MW352.63 g/mol
LogP3.85
Rot. Bonds1

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

N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107607250) has the molecular formula C10H10ClIN2S and a molecular weight of 352.63 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107607250
Molecular FormulaC10H10ClIN2S
Molecular Weight352.63 g/mol
Exact Mass351.93
IUPAC NameN-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(Nc2ccc(I)cc2Cl)=N1
InChIInChI=1S/C10H10ClIN2S/c1-6-5-15-10(13-6)14-9-3-2-7(12)4-8(9)11/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyQYGGBOHVUADXRB-UHFFFAOYSA-N
XLogP3.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.63
LogP ≤ 53.85
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-(2-chloro-4-iodophenyl)-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 107607269
N-(2-bromo-4-chlorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81274901
N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439866
N-(2-bromo-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440061
(4S)-N-(2,4-dichlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246788
N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 60792387
N-(5-iodo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114257714
N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440032
N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858227
4-N-(2-chloro-4-iodophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 107604708
(4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2345411
N-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439714

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 107607250) is N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CSC(Nc2ccc(I)cc2Cl)=N1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QYGGBOHVUADXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN2S/c1-6-5-15-10(13-6)14-9-3-2-7(12)4-8(9)11/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 352.63 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107607250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).