N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C17H18FN3O3S2 — CID 110645429

IUPACN-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2c(C)noc2C)sc1Cc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O3S2/c1-10-15(8-13-4-6-14(18)7-5-13)25-16(20-10)9-19-26(22,23)17-11(2)21-24-12(17)3/h4-7,19H,8-9H2,1-3H3
InChIKeyBIQWVUCLPFJMJK-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.26
Rot. Bonds6

About N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 110645429) has the molecular formula C17H18FN3O3S2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID110645429
Molecular FormulaC17H18FN3O3S2
Molecular Weight395.48 g/mol
Exact Mass395.08
IUPAC NameN-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2c(C)noc2C)sc1Cc1ccc(F)cc1
InChIInChI=1S/C17H18FN3O3S2/c1-10-15(8-13-4-6-14(18)7-5-13)25-16(20-10)9-19-26(22,23)17-11(2)21-24-12(17)3/h4-7,19H,8-9H2,1-3H3
InChIKeyBIQWVUCLPFJMJK-UHFFFAOYSA-N
XLogP3.26
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide
CID 110645419
1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
CID 110645409
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9402713
5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054554
2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970111
N-[3-(4-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110288279
N-[(3-chloro-2,6-difluorophenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3829002
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645417
3,5-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]-1,2-oxazole-4-sulfonamide
CID 53090379
N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110421238
2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]benzamide
CID 110645392
3,5-dimethyl-N-(1H-pyrazol-4-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 54897462

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 110645429) is N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1nc(CNS(=O)(=O)c2c(C)noc2C)sc1Cc1ccc(F)cc1.
What is the InChIKey of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is BIQWVUCLPFJMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S2/c1-10-15(8-13-4-6-14(18)7-5-13)25-16(20-10)9-19-26(22,23)17-11(2)21-24-12(17)3/h4-7,19H,8-9H2,1-3H3.
What are the key properties of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 395.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110645429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).