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

C14H19IN2S — CID 106284701

IUPACN-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2ccc(I)cc2)S1
InChIInChI=1S/C14H19IN2S/c1-3-10(4-2)13-9-16-14(18-13)17-12-7-5-11(15)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyKJOPJCUFMLGJDE-UHFFFAOYSA-N
MW374.29 g/mol
LogP4.61
Rot. Bonds4

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

N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106284701) has the molecular formula C14H19IN2S and a molecular weight of 374.29 g/mol. Its IUPAC name is N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106284701
Molecular FormulaC14H19IN2S
Molecular Weight374.29 g/mol
Exact Mass374.03
IUPAC NameN-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2ccc(I)cc2)S1
InChIInChI=1S/C14H19IN2S/c1-3-10(4-2)13-9-16-14(18-13)17-12-7-5-11(15)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,17)
InChIKeyKJOPJCUFMLGJDE-UHFFFAOYSA-N
XLogP4.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 54.61
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

5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106284824
N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 106284715
N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284917
N-(6-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285482
N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285273
N-(3-bromo-4-methoxyphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285384
N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284902
N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284811
N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285015
N-cyclopropyl-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284732
N-[(4-methylphenyl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284896
5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284803

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106284701) is N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(Nc2ccc(I)cc2)S1.
What is the InChIKey of N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KJOPJCUFMLGJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2S/c1-3-10(4-2)13-9-16-14(18-13)17-12-7-5-11(15)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,17).
What are the key properties of N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 374.29 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106284701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).