N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C18H24IN3OS — CID 143445165

IUPACN-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1sc(-c2ccc(I)cc2)nc1C
InChIInChI=1S/C18H24IN3OS/c1-5-22(6-2)12-11-21(4)18(23)16-13(3)20-17(24-16)14-7-9-15(19)10-8-14/h7-10H,5-6,11-12H2,1-4H3
InChIKeyOMNOUNNHPPEYEN-UHFFFAOYSA-N
MW457.38 g/mol
LogP4.14
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 143445165) has the molecular formula C18H24IN3OS and a molecular weight of 457.38 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID143445165
Molecular FormulaC18H24IN3OS
Molecular Weight457.38 g/mol
Exact Mass457.07
IUPAC NameN-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1sc(-c2ccc(I)cc2)nc1C
InChIInChI=1S/C18H24IN3OS/c1-5-22(6-2)12-11-21(4)18(23)16-13(3)20-17(24-16)14-7-9-15(19)10-8-14/h7-10H,5-6,11-12H2,1-4H3
InChIKeyOMNOUNNHPPEYEN-UHFFFAOYSA-N
XLogP4.14
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 143445165) is N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is CCN(CC)CCN(C)C(=O)c1sc(-c2ccc(I)cc2)nc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is OMNOUNNHPPEYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24IN3OS/c1-5-22(6-2)12-11-21(4)18(23)16-13(3)20-17(24-16)14-7-9-15(19)10-8-14/h7-10H,5-6,11-12H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 457.38 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(4-iodophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 143445165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).