N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide

C13H12ClFN2O4S2 — CID 119044638

IUPACN-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)cs1
InChIInChI=1S/C13H12ClFN2O4S2/c1-21-5-12-16-11(6-22-12)13(18)17-23(19,20)7-8-2-3-9(14)10(15)4-8/h2-4,6H,5,7H2,1H3,(H,17,18)
InChIKeyVWSLZBDGZVSHFI-UHFFFAOYSA-N
MW378.83 g/mol
LogP2.34
Rot. Bonds6

About N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide

N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide (PubChem CID 119044638) has the molecular formula C13H12ClFN2O4S2 and a molecular weight of 378.83 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
PubChem CID119044638
Molecular FormulaC13H12ClFN2O4S2
Molecular Weight378.83 g/mol
Exact Mass377.99
IUPAC NameN-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)cs1
InChIInChI=1S/C13H12ClFN2O4S2/c1-21-5-12-16-11(6-22-12)13(18)17-23(19,20)7-8-2-3-9(14)10(15)4-8/h2-4,6H,5,7H2,1H3,(H,17,18)
InChIKeyVWSLZBDGZVSHFI-UHFFFAOYSA-N
XLogP2.34
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 66388298
2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255767
2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
CID 33104782
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 111335370
2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 24712829
N-(2-bromo-4-methylphenyl)-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 47425875
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46106176
2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide
CID 103307161
N-(5-bromo-2-pyridinyl)-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 86847511
2-(aminomethyl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119774846
2-[(4-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712831
2-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24671807

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide (CID 119044638) is N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide is COCc1nc(C(=O)NS(=O)(=O)Cc2ccc(Cl)c(F)c2)cs1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VWSLZBDGZVSHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O4S2/c1-21-5-12-16-11(6-22-12)13(18)17-23(19,20)7-8-2-3-9(14)10(15)4-8/h2-4,6H,5,7H2,1H3,(H,17,18).
What are the key properties of N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 378.83 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119044638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).