N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide

C15H17IN2O3S2 — CID 55965522

IUPACN-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)Nc1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C15H17IN2O3S2/c1-9(2)23(20,21)10(3)14(19)18-15-17-13(8-22-15)11-4-6-12(16)7-5-11/h4-10H,1-3H3,(H,17,18,19)
InChIKeyDPHFGIQZQMZLJZ-UHFFFAOYSA-N
MW464.35 g/mol
LogP3.56
Rot. Bonds5

About N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide

N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 55965522) has the molecular formula C15H17IN2O3S2 and a molecular weight of 464.35 g/mol. Its IUPAC name is N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide
PubChem CID55965522
Molecular FormulaC15H17IN2O3S2
Molecular Weight464.35 g/mol
Exact Mass463.97
IUPAC NameN-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)Nc1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C15H17IN2O3S2/c1-9(2)23(20,21)10(3)14(19)18-15-17-13(8-22-15)11-4-6-12(16)7-5-11/h4-10H,1-3H3,(H,17,18,19)
InChIKeyDPHFGIQZQMZLJZ-UHFFFAOYSA-N
XLogP3.56
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
methyl 4-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]benzoate
CID 17424348
4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 103601292
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069
2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119266420
2-acetamido-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 75869192
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
CID 24568436
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
(2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9246541
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 41151826

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide (CID 55965522) is N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)C(C)C(=O)Nc1nc(-c2ccc(I)cc2)cs1.
What is the InChIKey of N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is DPHFGIQZQMZLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O3S2/c1-9(2)23(20,21)10(3)14(19)18-15-17-13(8-22-15)11-4-6-12(16)7-5-11/h4-10H,1-3H3,(H,17,18,19).
What are the key properties of N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide?
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 464.35 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 55965522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).