2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide

C19H15BrN4O3S2 — CID 52909987

IUPAC2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide
SMILESCc1noc([C@H](NS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)c2ccccc2)n1
InChIInChI=1S/C19H15BrN4O3S2/c1-12-21-18(27-23-12)17(13-5-3-2-4-6-13)24-29(25,26)16-11-28-19(22-16)14-7-9-15(20)10-8-14/h2-11,17,24H,1H3/t17-/m1/s1
InChIKeyHJLRGCQTVKFJDN-QGZVFWFLSA-N
MW491.39 g/mol
LogP4.33
Rot. Bonds6

About 2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide

2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide (PubChem CID 52909987) has the molecular formula C19H15BrN4O3S2 and a molecular weight of 491.39 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide
PubChem CID52909987
Molecular FormulaC19H15BrN4O3S2
Molecular Weight491.39 g/mol
Exact Mass489.98
IUPAC Name2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide
SMILESCc1noc([C@H](NS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)c2ccccc2)n1
InChIInChI=1S/C19H15BrN4O3S2/c1-12-21-18(27-23-12)17(13-5-3-2-4-6-13)24-29(25,26)16-11-28-19(22-16)14-7-9-15(20)10-8-14/h2-11,17,24H,1H3/t17-/m1/s1
InChIKeyHJLRGCQTVKFJDN-QGZVFWFLSA-N
XLogP4.33
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-bromophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
CID 167949281
2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
CID 166369763
N-[(4-bromophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 166175665
(2-carbamoylphenyl) 2-(4-bromophenyl)-1,3-thiazole-4-sulfonate
CID 52813401
4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole
CID 15354638
2-(4-bromophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-sulfonamide
CID 119967216
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea
CID 94816108
(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 9393421
(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol
CID 63851603
2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane
CID 145337663
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100759256
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide (CID 52909987) is 2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide is Cc1noc([C@H](NS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)c2ccccc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide?
The InChIKey is HJLRGCQTVKFJDN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H15BrN4O3S2/c1-12-21-18(27-23-12)17(13-5-3-2-4-6-13)24-29(25,26)16-11-28-19(22-16)14-7-9-15(20)10-8-14/h2-11,17,24H,1H3/t17-/m1/s1.
What are the key properties of 2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide?
2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide has a molecular weight of 491.39 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 52909987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).